OpenWrite::noopen: Cannot open /stmp/mathematica/tmp_621912.txt. Content-type: text/html MGROUPS
Bilbao Crystallographic Server arrow SUBGROUPS Help

The magnetic space groups derived from the Fedorov space group: 014b > 014b (id = 27468)HHHHRead tr. matrix for the supergroup from /tmp/wp-supertrm27468.trnHHHH1.000000 0.000000 0.000000 0.000000 HHHH0.000000 1.000000 0.000000 0.000000 HHHH0.000000 0.000000 1.000000 0.000000 HHHHinverted:HHHH1.000000 0.000000 0.000000 0.000000 HHHH0.000000 1.000000 0.000000 0.000000 HHHH0.000000 0.000000 1.000000 0.000000 HHHHRead tr. matrix for the subgroup from /tmp/wp-subtrm27468.trnHHHH1.000000 0.000000 0.000000 0.000000 HHHH0.000000 1.000000 0.000000 0.000000 HHHH0.000000 0.000000 1.000000 0.000000 HHHHinverted:HHHH1.000000 0.000000 0.000000 0.000000 HHHH0.000000 1.000000 0.000000 0.000000 HHHH0.000000 0.000000 1.000000 0.000000 HHHHRead tr. matrix from /tmp/wp-trm27468.trnHHHH7.000000 0.000000 -2.000000 1.000000 HHHH0.000000 1.000000 0.000000 0.000000 HHHH0.000000 0.000000 1.000000 0.000000 HHHHTransformation matrix:HHHH7.000000 0.000000 -2.000000 1.000000 HHHH0.000000 1.000000 0.000000 0.000000 HHHH0.000000 0.000000 1.000000 0.000000 HHHHdeterminant: 7.000000(det-ONE=6.000000)HHHHInverted of the transformation matrix:HHHH0.142857 0.000000 0.285714 -0.142857 HHHH0.000000 1.000000 0.000000 0.000000 HHHH0.000000 0.000000 1.000000 -0.285714 HHHHSubgroup generators: 2, general positions: 4HHHH(x,y,z)HHHH(-x, 0.500000 +y, 0.500000 - z)HHHH(-x, -y, -z)HHHH(x, 0.500000 - y, 0.500000 +z)HHHHSubgroup Wyckoff positions:HHHHList of Wyckoff positions:HHHHOrbit No:0HHHHMultiplicity:4HHHHLetter:eHHHH(x,y,z)HHHH(-x, 0.500000 +y, 0.500000 - z)HHHH(-x, -y, -z)HHHH(x, 0.500000 - y, 0.500000 +z)HHHHOrbit No:1HHHHMultiplicity:2HHHHLetter:dHHHH(0.500000, 0.000000, 0.500000)HHHH(0.500000, 0.500000, 0.000000)HHHHOrbit No:2HHHHMultiplicity:2HHHHLetter:cHHHH(0.000000, 0.000000, 0.500000)HHHH(0.000000, 0.500000, 0.000000)HHHHOrbit No:3HHHHMultiplicity:2HHHHLetter:bHHHH(0.500000, 0.000000, 0.000000)HHHH(0.500000, 0.500000, 0.500000)HHHHOrbit No:4HHHHMultiplicity:2HHHHLetter:aHHHH(0.000000, 0.000000, 0.000000)HHHH(0.000000, 0.500000, 0.500000)HHHHtr. matrix:(1.000000 + 7.000000x,y, -2.000000x +z)HHHHdet = 7.000000HHHHSupergroup is transformed to unconventional setting.HHHHtake memory for 9 cells.HHHHtr. matrix:(1.000000 + 7.000000x,y, -2.000000x +z)HHHHNumber of gen. pos. = 4, det = 7.000000. New number of general positions: 28HHHHchange the basis with the matrix (1.000000 + 7.000000x,y, -2.000000x +z)HHHHAfter checking group we obtain 28 elementsHHHH000HHHHBefore expanding:HHHH(x,y,z)HHHH(0.857143 - x, 0.500000 +y, 0.500000 - z)HHHH(0.714286 - x, -y, -z)HHHH(0.142857 +x, 0.500000 - y, 0.500000 +z)HHHHAfter expanding general positions: number of cells: 1HHHHNumber of gen. pos. = 0, det = 7.000000. New number of general positions: 0HHHH(x,y,z)HHHH(0.142857 +x,y,z)HHHH(0.285714 +x,y,z)HHHH(0.428571 +x,y,z)HHHH(0.571429 +x,y,z)HHHH(0.714286 +x,y,z)HHHH(0.857143 +x,y,z)HHHH(0.857143 - x, 0.500000 +y, 0.500000 - z)HHHH(-x, 0.500000 +y, 0.500000 - z)HHHH(0.142857 - x, 0.500000 +y, 0.500000 - z)HHHH(0.285714 - x, 0.500000 +y, 0.500000 - z)HHHH(0.428571 - x, 0.500000 +y, 0.500000 - z)HHHH(0.571429 - x, 0.500000 +y, 0.500000 - z)HHHH(0.714286 - x, 0.500000 +y, 0.500000 - z)HHHH(0.714286 - x, -y, -z)HHHH(0.857143 - x, -y, -z)HHHH(-x, -y, -z)HHHH(0.142857 - x, -y, -z)HHHH(0.285714 - x, -y, -z)HHHH(0.428571 - x, -y, -z)HHHH(0.571429 - x, -y, -z)HHHH(0.142857 +x, 0.500000 - y, 0.500000 +z)HHHH(0.285714 +x, 0.500000 - y, 0.500000 +z)HHHH(0.428571 +x, 0.500000 - y, 0.500000 +z)HHHH(0.571429 +x, 0.500000 - y, 0.500000 +z)HHHH(0.714286 +x, 0.500000 - y, 0.500000 +z)HHHH(0.857143 +x, 0.500000 - y, 0.500000 +z)HHHH(x, 0.500000 - y, 0.500000 +z)HHHH000HHHHSupergroup is transformed (28 gen.pos.)->return the new group.HHHH(x,y,z)HHHH(0.142857 +x,y,z)HHHH(0.285714 +x,y,z)HHHH(0.428571 +x,y,z)HHHH(0.571429 +x,y,z)HHHH(0.714286 +x,y,z)HHHH(0.857143 +x,y,z)HHHH(0.857143 - x, 0.500000 +y, 0.500000 - z)HHHH(-x, 0.500000 +y, 0.500000 - z)HHHH(0.142857 - x, 0.500000 +y, 0.500000 - z)HHHH(0.285714 - x, 0.500000 +y, 0.500000 - z)HHHH(0.428571 - x, 0.500000 +y, 0.500000 - z)HHHH(0.571429 - x, 0.500000 +y, 0.500000 - z)HHHH(0.714286 - x, 0.500000 +y, 0.500000 - z)HHHH(0.714286 - x, -y, -z)HHHH(0.857143 - x, -y, -z)HHHH(-x, -y, -z)HHHH(0.142857 - x, -y, -z)HHHH(0.285714 - x, -y, -z)HHHH(0.428571 - x, -y, -z)HHHH(0.571429 - x, -y, -z)HHHH(0.142857 +x, 0.500000 - y, 0.500000 +z)HHHH(0.285714 +x, 0.500000 - y, 0.500000 +z)HHHH(0.428571 +x, 0.500000 - y, 0.500000 +z)HHHH(0.571429 +x, 0.500000 - y, 0.500000 +z)HHHH(0.714286 +x, 0.500000 - y, 0.500000 +z)HHHH(0.857143 +x, 0.500000 - y, 0.500000 +z)HHHH(x, 0.500000 - y, 0.500000 +z)HHHHSupergroup is transformed to the subgroup basis. there are 28 general positionsHHHHSupergroup generators: xxx, general positions:28HHHHSubgroup basis:HHHH(x,y,z)HHHH(0.142857 +x,y,z)HHHH(0.285714 +x,y,z)HHHH(0.428571 +x,y,z)HHHH(0.571429 +x,y,z)HHHH(0.714286 +x,y,z)HHHH(0.857143 +x,y,z)HHHH(0.857143 - x, 0.500000 +y, 0.500000 - z)HHHH(-x, 0.500000 +y, 0.500000 - z)HHHH(0.142857 - x, 0.500000 +y, 0.500000 - z)HHHH(0.285714 - x, 0.500000 +y, 0.500000 - z)HHHH(0.428571 - x, 0.500000 +y, 0.500000 - z)HHHH(0.571429 - x, 0.500000 +y, 0.500000 - z)HHHH(0.714286 - x, 0.500000 +y, 0.500000 - z)HHHH(0.714286 - x, -y, -z)HHHH(0.857143 - x, -y, -z)HHHH(-x, -y, -z)HHHH(0.142857 - x, -y, -z)HHHH(0.285714 - x, -y, -z)HHHH(0.428571 - x, -y, -z)HHHH(0.571429 - x, -y, -z)HHHH(0.142857 +x, 0.500000 - y, 0.500000 +z)HHHH(0.285714 +x, 0.500000 - y, 0.500000 +z)HHHH(0.428571 +x, 0.500000 - y, 0.500000 +z)HHHH(0.571429 +x, 0.500000 - y, 0.500000 +z)HHHH(0.714286 +x, 0.500000 - y, 0.500000 +z)HHHH(0.857143 +x, 0.500000 - y, 0.500000 +z)HHHH(x, 0.500000 - y, 0.500000 +z)HHHHnumber of cells: 1HHHH000HHHHSupergroup Wyckoff positions:HHHHOwn basis.HHHHList of Wyckoff positions:HHHHOrbit No:0HHHHMultiplicity:4HHHHLetter:eHHHH(x,y,z)HHHHOrbit No:1HHHHMultiplicity:2HHHHLetter:dHHHH(0.500000, 0.000000, 0.500000)HHHHOrbit No:2HHHHMultiplicity:2HHHHLetter:cHHHH(0.000000, 0.000000, 0.500000)HHHHOrbit No:3HHHHMultiplicity:2HHHHLetter:bHHHH(0.500000, 0.000000, 0.000000)HHHHOrbit No:4HHHHMultiplicity:2HHHHLetter:aHHHH(0.000000, 0.000000, 0.000000)HHHHSubgroup basis.HHHHList of Wyckoff positions:HHHHOrbit No:0HHHHMultiplicity:4HHHHLetter:eHHHH(1.000000 + 0.142857 (-1.000000 +x),y, 1.000000 + 0.285714 (-1.000000 +x) +z)HHHHOrbit No:1HHHHMultiplicity:2HHHHLetter:dHHHH(0.928571, 0.000000, 0.357143)HHHHOrbit No:2HHHHMultiplicity:2HHHHLetter:cHHHH(0.857143, 0.000000, 0.214286)HHHHOrbit No:3HHHHMultiplicity:2HHHHLetter:bHHHH(0.928571, 0.000000, 0.857143)HHHHOrbit No:4HHHHMultiplicity:2HHHHLetter:aHHHH(0.857143, 0.000000, 0.714286)HHHHindex : 7HHHHSplitting of the general position of the supergroup...HHHHThe general position splits into 7 suborbits.HHHH&Splitting of all positions:HHHHGGGG4e: 4e 4e 4e 4e 4e 4e 4eHHHH2d: 4e 4e 4e 2dHHHH2c: 2c 4e 4e 4eHHHH2b: 4e 4e 4e 2bHHHH2a: 4e 2a 4e 4eHHHH&Splitting of Wyckoff position 4e: 4e 4e 4e 4e 4e 4e 4eHHHHOrbit 0:HHHH[0]TTTT(x,y,z)TTTT(0.142857 (-1.000000 +x + 2.000000z),y,z)TTTT4eTTTT(x,y,z)HHHH[1]TTTT(-6.000000 - x, 0.500000 +y, 0.500000 - z)TTTT(0.142857 (-x - 2.000000 (3.000000 +z)), 0.500000 +y, 0.500000 - z)TTTT4eTTTT(-x, 0.500000 +y, 0.500000 - z)HHHH[2]TTTT(-5.000000 - x, -y, -z)TTTT(0.142857 (-x - 2.000000 (3.000000 +z)), -y, -z)TTTT4eTTTT(-x, -y, -z)HHHH[3]TTTT(-1.000000 +x, 0.500000 - y, 0.500000 +z)TTTT(0.142857 (-1.000000 +x + 2.000000z), 0.500000 - y, 0.500000 +z)TTTT4eTTTT(x, 0.500000 - y, 0.500000 +z)HHHHOrbit 1:HHHH[0]TTTT(-6.000000 +x,y,z)TTTT(0.142857 (-7.000000 +x + 2.000000z),y,z)TTTT4eTTTT(x,y,z)HHHH[1]TTTT(-7.000000 - x, 0.500000 +y, 0.500000 - z)TTTT(0.142857 (-7.000000 - x - 2.000000z), 0.500000 +y, 0.500000 - z)TTTT4eTTTT(-x, 0.500000 +y, 0.500000 - z)HHHH[2]TTTT(-6.000000 - x, -y, -z)TTTT(0.142857 (-7.000000 - x - 2.000000z), -y, -z)TTTT4eTTTT(-x, -y, -z)HHHH[3]TTTT(-7.000000 +x, 0.500000 - y, 0.500000 +z)TTTT(0.142857 (-7.000000 +x + 2.000000z), 0.500000 - y, 0.500000 +z)TTTT4eTTTT(x, 0.500000 - y, 0.500000 +z)HHHHOrbit 2:HHHH[0]TTTT(-5.000000 +x,y,z)TTTT(0.142857 (-6.000000 +x + 2.000000z),y,z)TTTT4eTTTT(x,y,z)HHHH[1]TTTT(-1.000000 - x, 0.500000 +y, 0.500000 - z)TTTT(0.142857 (-1.000000 - x - 2.000000z), 0.500000 +y, 0.500000 - z)TTTT4eTTTT(-x, 0.500000 +y, 0.500000 - z)HHHH[2]TTTT(-x, -y, -z)TTTT(0.142857 (-1.000000 - x - 2.000000z), -y, -z)TTTT4eTTTT(-x, -y, -z)HHHH[3]TTTT(-6.000000 +x, 0.500000 - y, 0.500000 +z)TTTT(0.142857 (-6.000000 +x + 2.000000z), 0.500000 - y, 0.500000 +z)TTTT4eTTTT(x, 0.500000 - y, 0.500000 +z)HHHHOrbit 3:HHHH[0]TTTT(-4.000000 +x,y,z)TTTT(0.142857 (-5.000000 +x + 2.000000z),y,z)TTTT4eTTTT(x,y,z)HHHH[1]TTTT(-2.000000 - x, 0.500000 +y, 0.500000 - z)TTTT(0.142857 (-x - 2.000000 (1.000000 +z)), 0.500000 +y, 0.500000 - z)TTTT4eTTTT(-x, 0.500000 +y, 0.500000 - z)HHHH[2]TTTT(-1.000000 - x, -y, -z)TTTT(0.142857 (-x - 2.000000 (1.000000 +z)), -y, -z)TTTT4eTTTT(-x, -y, -z)HHHH[3]TTTT(-5.000000 +x, 0.500000 - y, 0.500000 +z)TTTT(0.142857 (-5.000000 +x + 2.000000z), 0.500000 - y, 0.500000 +z)TTTT4eTTTT(x, 0.500000 - y, 0.500000 +z)HHHHOrbit 4:HHHH[0]TTTT(-3.000000 +x,y,z)TTTT(0.142857 (-4.000000 +x + 2.000000z),y,z)TTTT4eTTTT(x,y,z)HHHH[1]TTTT(-3.000000 - x, 0.500000 +y, 0.500000 - z)TTTT(0.142857 (-3.000000 - x - 2.000000z), 0.500000 +y, 0.500000 - z)TTTT4eTTTT(-x, 0.500000 +y, 0.500000 - z)HHHH[2]TTTT(-2.000000 - x, -y, -z)TTTT(0.142857 (-3.000000 - x - 2.000000z), -y, -z)TTTT4eTTTT(-x, -y, -z)HHHH[3]TTTT(-4.000000 +x, 0.500000 - y, 0.500000 +z)TTTT(0.142857 (-4.000000 +x + 2.000000z), 0.500000 - y, 0.500000 +z)TTTT4eTTTT(x, 0.500000 - y, 0.500000 +z)HHHHOrbit 5:HHHH[0]TTTT(-2.000000 +x,y,z)TTTT(0.142857 (-3.000000 +x + 2.000000z),y,z)TTTT4eTTTT(x,y,z)HHHH[1]TTTT(-4.000000 - x, 0.500000 +y, 0.500000 - z)TTTT(0.142857 (-x - 2.000000 (2.000000 +z)), 0.500000 +y, 0.500000 - z)TTTT4eTTTT(-x, 0.500000 +y, 0.500000 - z)HHHH[2]TTTT(-3.000000 - x, -y, -z)TTTT(0.142857 (-x - 2.000000 (2.000000 +z)), -y, -z)TTTT4eTTTT(-x, -y, -z)HHHH[3]TTTT(-3.000000 +x, 0.500000 - y, 0.500000 +z)TTTT(0.142857 (-3.000000 +x + 2.000000z), 0.500000 - y, 0.500000 +z)TTTT4eTTTT(x, 0.500000 - y, 0.500000 +z)HHHHOrbit 6:HHHH[0]TTTT(-1.000000 +x,y,z)TTTT(0.142857 (-2.000000 +x + 2.000000z),y,z)TTTT4eTTTT(x,y,z)HHHH[1]TTTT(-5.000000 - x, 0.500000 +y, 0.500000 - z)TTTT(0.142857 (-5.000000 - x - 2.000000z), 0.500000 +y, 0.500000 - z)TTTT4eTTTT(-x, 0.500000 +y, 0.500000 - z)HHHH[2]TTTT(-4.000000 - x, -y, -z)TTTT(0.142857 (-5.000000 - x - 2.000000z), -y, -z)TTTT4eTTTT(-x, -y, -z)HHHH[3]TTTT(-2.000000 +x, 0.500000 - y, 0.500000 +z)TTTT(0.142857 (-2.000000 +x + 2.000000z), 0.500000 - y, 0.500000 +z)TTTT4eTTTT(x, 0.500000 - y, 0.500000 +z)HHHHGGGG$Splitting of Wyckoff position 2d: 4e 4e 4e 2dHHHHOrbit 0:HHHH[0]TTTT(-6.500000, 0.000000, 0.500000)TTTT(-0.928571, 0.000000, 0.500000)TTTT4eTTTT(x,y,z)HHHH[1]TTTT(0.500000, 0.500000, 0.000000)TTTT(-0.071429, 0.500000, 0.000000)TTTT4eTTTT(-x, 0.500000 +y, 0.500000 - z)HHHH[2]TTTT(-0.500000, 0.000000, 0.500000)TTTT(-0.071429, 0.000000, 0.500000)TTTT4eTTTT(-x, -y, -z)HHHH[3]TTTT(-5.500000, 0.500000, 0.000000)TTTT(-0.928571, 0.500000, 0.000000)TTTT4eTTTT(x, 0.500000 - y, 0.500000 +z)HHHHOrbit 1:HHHH[0]TTTT(-5.500000, 0.000000, 0.500000)TTTT(-0.785714, 0.000000, 0.500000)TTTT4eTTTT(x,y,z)HHHH[1]TTTT(-0.500000, 0.500000, 0.000000)TTTT(-0.214286, 0.500000, 0.000000)TTTT4eTTTT(-x, 0.500000 +y, 0.500000 - z)HHHH[2]TTTT(-1.500000, 0.000000, 0.500000)TTTT(-0.214286, 0.000000, 0.500000)TTTT4eTTTT(-x, -y, -z)HHHH[3]TTTT(-4.500000, 0.500000, 0.000000)TTTT(-0.785714, 0.500000, 0.000000)TTTT4eTTTT(x, 0.500000 - y, 0.500000 +z)HHHHOrbit 2:HHHH[0]TTTT(-4.500000, 0.000000, 0.500000)TTTT(-0.642857, 0.000000, 0.500000)TTTT4eTTTT(x,y,z)HHHH[1]TTTT(-1.500000, 0.500000, 0.000000)TTTT(-0.357143, 0.500000, 0.000000)TTTT4eTTTT(-x, 0.500000 +y, 0.500000 - z)HHHH[2]TTTT(-2.500000, 0.000000, 0.500000)TTTT(-0.357143, 0.000000, 0.500000)TTTT4eTTTT(-x, -y, -z)HHHH[3]TTTT(-3.500000, 0.500000, 0.000000)TTTT(-0.642857, 0.500000, 0.000000)TTTT4eTTTT(x, 0.500000 - y, 0.500000 +z)HHHHOrbit 3:HHHH[0]TTTT(-3.500000, 0.000000, 0.500000)TTTT(-0.500000, 0.000000, 0.500000)TTTT2dTTTT(0.500000, 0.000000, 0.500000)HHHH[1]TTTT(-2.500000, 0.500000, 0.000000)TTTT(-0.500000, 0.500000, 0.000000)TTTT2dTTTT(0.500000, 0.500000, 0.000000)HHHHGGGG$Splitting of Wyckoff position 2c: 2c 4e 4e 4eHHHHOrbit 0:HHHH[0]TTTT(-7.000000, 0.000000, 0.500000)TTTT(-1.000000, 0.000000, 0.500000)TTTT2cTTTT(0.000000, 0.000000, 0.500000)HHHH[1]TTTT(-6.000000, 0.500000, 0.000000)TTTT(-1.000000, 0.500000, 0.000000)TTTT2cTTTT(0.000000, 0.500000, 0.000000)HHHHOrbit 1:HHHH[0]TTTT(-6.000000, 0.000000, 0.500000)TTTT(-0.857143, 0.000000, 0.500000)TTTT4eTTTT(x,y,z)HHHH[1]TTTT(0.000000, 0.500000, 0.000000)TTTT(-0.142857, 0.500000, 0.000000)TTTT4eTTTT(-x, 0.500000 +y, 0.500000 - z)HHHH[2]TTTT(-1.000000, 0.000000, 0.500000)TTTT(-0.142857, 0.000000, 0.500000)TTTT4eTTTT(-x, -y, -z)HHHH[3]TTTT(-5.000000, 0.500000, 0.000000)TTTT(-0.857143, 0.500000, 0.000000)TTTT4eTTTT(x, 0.500000 - y, 0.500000 +z)HHHHOrbit 2:HHHH[0]TTTT(-5.000000, 0.000000, 0.500000)TTTT(-0.714286, 0.000000, 0.500000)TTTT4eTTTT(x,y,z)HHHH[1]TTTT(-1.000000, 0.500000, 0.000000)TTTT(-0.285714, 0.500000, 0.000000)TTTT4eTTTT(-x, 0.500000 +y, 0.500000 - z)HHHH[2]TTTT(-2.000000, 0.000000, 0.500000)TTTT(-0.285714, 0.000000, 0.500000)TTTT4eTTTT(-x, -y, -z)HHHH[3]TTTT(-4.000000, 0.500000, 0.000000)TTTT(-0.714286, 0.500000, 0.000000)TTTT4eTTTT(x, 0.500000 - y, 0.500000 +z)HHHHOrbit 3:HHHH[0]TTTT(-4.000000, 0.000000, 0.500000)TTTT(-0.571429, 0.000000, 0.500000)TTTT4eTTTT(x,y,z)HHHH[1]TTTT(-2.000000, 0.500000, 0.000000)TTTT(-0.428571, 0.500000, 0.000000)TTTT4eTTTT(-x, 0.500000 +y, 0.500000 - z)HHHH[2]TTTT(-3.000000, 0.000000, 0.500000)TTTT(-0.428571, 0.000000, 0.500000)TTTT4eTTTT(-x, -y, -z)HHHH[3]TTTT(-3.000000, 0.500000, 0.000000)TTTT(-0.571429, 0.500000, 0.000000)TTTT4eTTTT(x, 0.500000 - y, 0.500000 +z)HHHHGGGG$Splitting of Wyckoff position 2b: 4e 4e 4e 2bHHHHOrbit 0:HHHH[0]TTTT(0.500000, 0.000000, 0.000000)TTTT(-0.071429, 0.000000, 0.000000)TTTT4eTTTT(x,y,z)HHHH[1]TTTT(-6.500000, 0.500000, 0.500000)TTTT(-0.928571, 0.500000, 0.500000)TTTT4eTTTT(-x, 0.500000 +y, 0.500000 - z)HHHH[2]TTTT(-5.500000, 0.000000, 0.000000)TTTT(-0.928571, 0.000000, 0.000000)TTTT4eTTTT(-x, -y, -z)HHHH[3]TTTT(-0.500000, 0.500000, 0.500000)TTTT(-0.071429, 0.500000, 0.500000)TTTT4eTTTT(x, 0.500000 - y, 0.500000 +z)HHHHOrbit 1:HHHH[0]TTTT(-4.500000, 0.000000, 0.000000)TTTT(-0.785714, 0.000000, 0.000000)TTTT4eTTTT(x,y,z)HHHH[1]TTTT(-1.500000, 0.500000, 0.500000)TTTT(-0.214286, 0.500000, 0.500000)TTTT4eTTTT(-x, 0.500000 +y, 0.500000 - z)HHHH[2]TTTT(-0.500000, 0.000000, 0.000000)TTTT(-0.214286, 0.000000, 0.000000)TTTT4eTTTT(-x, -y, -z)HHHH[3]TTTT(-5.500000, 0.500000, 0.500000)TTTT(-0.785714, 0.500000, 0.500000)TTTT4eTTTT(x, 0.500000 - y, 0.500000 +z)HHHHOrbit 2:HHHH[0]TTTT(-3.500000, 0.000000, 0.000000)TTTT(-0.642857, 0.000000, 0.000000)TTTT4eTTTT(x,y,z)HHHH[1]TTTT(-2.500000, 0.500000, 0.500000)TTTT(-0.357143, 0.500000, 0.500000)TTTT4eTTTT(-x, 0.500000 +y, 0.500000 - z)HHHH[2]TTTT(-1.500000, 0.000000, 0.000000)TTTT(-0.357143, 0.000000, 0.000000)TTTT4eTTTT(-x, -y, -z)HHHH[3]TTTT(-4.500000, 0.500000, 0.500000)TTTT(-0.642857, 0.500000, 0.500000)TTTT4eTTTT(x, 0.500000 - y, 0.500000 +z)HHHHOrbit 3:HHHH[0]TTTT(-2.500000, 0.000000, 0.000000)TTTT(-0.500000, 0.000000, 0.000000)TTTT2bTTTT(0.500000, 0.000000, 0.000000)HHHH[1]TTTT(-3.500000, 0.500000, 0.500000)TTTT(-0.500000, 0.500000, 0.500000)TTTT2bTTTT(0.500000, 0.500000, 0.500000)HHHHGGGG$Splitting of Wyckoff position 2a: 4e 2a 4e 4eHHHHOrbit 0:HHHH[0]TTTT(0.000000, 0.000000, 0.000000)TTTT(-0.142857, 0.000000, 0.000000)TTTT4eTTTT(x,y,z)HHHH[1]TTTT(-6.000000, 0.500000, 0.500000)TTTT(-0.857143, 0.500000, 0.500000)TTTT4eTTTT(-x, 0.500000 +y, 0.500000 - z)HHHH[2]TTTT(-5.000000, 0.000000, 0.000000)TTTT(-0.857143, 0.000000, 0.000000)TTTT4eTTTT(-x, -y, -z)HHHH[3]TTTT(-1.000000, 0.500000, 0.500000)TTTT(-0.142857, 0.500000, 0.500000)TTTT4eTTTT(x, 0.500000 - y, 0.500000 +z)HHHHOrbit 1:HHHH[0]TTTT(-6.000000, 0.000000, 0.000000)TTTT(-1.000000, 0.000000, 0.000000)TTTT2aTTTT(0.000000, 0.000000, 0.000000)HHHH[1]TTTT(-7.000000, 0.500000, 0.500000)TTTT(-1.000000, 0.500000, 0.500000)TTTT2aTTTT(0.000000, 0.500000, 0.500000)HHHHOrbit 2:HHHH[0]TTTT(-4.000000, 0.000000, 0.000000)TTTT(-0.714286, 0.000000, 0.000000)TTTT4eTTTT(x,y,z)HHHH[1]TTTT(-2.000000, 0.500000, 0.500000)TTTT(-0.285714, 0.500000, 0.500000)TTTT4eTTTT(-x, 0.500000 +y, 0.500000 - z)HHHH[2]TTTT(-1.000000, 0.000000, 0.000000)TTTT(-0.285714, 0.000000, 0.000000)TTTT4eTTTT(-x, -y, -z)HHHH[3]TTTT(-5.000000, 0.500000, 0.500000)TTTT(-0.714286, 0.500000, 0.500000)TTTT4eTTTT(x, 0.500000 - y, 0.500000 +z)HHHHOrbit 3:HHHH[0]TTTT(-3.000000, 0.000000, 0.000000)TTTT(-0.571429, 0.000000, 0.000000)TTTT4eTTTT(x,y,z)HHHH[1]TTTT(-3.000000, 0.500000, 0.500000)TTTT(-0.428571, 0.500000, 0.500000)TTTT4eTTTT(-x, 0.500000 +y, 0.500000 - z)HHHH[2]TTTT(-2.000000, 0.000000, 0.000000)TTTT(-0.428571, 0.000000, 0.000000)TTTT4eTTTT(-x, -y, -z)HHHH[3]TTTT(-4.000000, 0.500000, 0.500000)TTTT(-0.571429, 0.500000, 0.500000)TTTT4eTTTT(x, 0.500000 - y, 0.500000 +z)HHHHGGGG&{{4, e}, {2, d}, {2, c}, {2, b}, {2, a}}${{{4, e}, {4, e}, {4, e}, {4, e}, {4, e}, {4, e}, {4, e}}, {{4, e}, {4, e}, {4, e}, {2, d}}, {{2, c}, {4, e}, {4, e}, {4, e}}, {{4, e}, {4, e}, {4, e}, {2, b}}, {{4, e}, {2, a}, {4, e}, {4, e}}}${{{{x, y, z}, {-6 - x, 1/2 + y, 1/2 - z}, {-5 - x, -y, -z}, {-1 + x, 1/2 - y, 1/2 + z}}, {{-6 + x, y, z}, {-7 - x, 1/2 + y, 1/2 - z}, {-6 - x, -y, -z}, {-7 + x, 1/2 - y, 1/2 + z}}, {{-5 + x, y, z}, {-1 - x, 1/2 + y, 1/2 - z}, {-x, -y, -z}, {-6 + x, 1/2 - y, 1/2 + z}}, {{-4 + x, y, z}, {-2 - x, 1/2 + y, 1/2 - z}, {-1 - x, -y, -z}, {-5 + x, 1/2 - y, 1/2 + z}}, {{-3 + x, y, z}, {-3 - x, 1/2 + y, 1/2 - z}, {-2 - x, -y, -z}, {-4 + x, 1/2 - y, 1/2 + z}}, {{-2 + x, y, z}, {-4 - x, 1/2 + y, 1/2 - z}, {-3 - x, -y, -z}, {-3 + x, 1/2 - y, 1/2 + z}}, {{-1 + x, y, z}, {-5 - x, 1/2 + y, 1/2 - z}, {-4 - x, -y, -z}, {-2 + x, 1/2 - y, 1/2 + z}}}, {{{-13/2, 0, 1/2}, {1/2, 1/2, 0}, {-1/2, 0, 1/2}, {-11/2, 1/2, 0}}, {{-11/2, 0, 1/2}, {-1/2, 1/2, 0}, {-3/2, 0, 1/2}, {-9/2, 1/2, 0}}, {{-9/2, 0, 1/2}, {-3/2, 1/2, 0}, {-5/2, 0, 1/2}, {-7/2, 1/2, 0}}, {{-7/2, 0, 1/2}, {-5/2, 1/2, 0}}}, {{{-7, 0, 1/2}, {-6, 1/2, 0}}, {{-6, 0, 1/2}, {0, 1/2, 0}, {-1, 0, 1/2}, {-5, 1/2, 0}}, {{-5, 0, 1/2}, {-1, 1/2, 0}, {-2, 0, 1/2}, {-4, 1/2, 0}}, {{-4, 0, 1/2}, {-2, 1/2, 0}, {-3, 0, 1/2}, {-3, 1/2, 0}}}, {{{1/2, 0, 0}, {-13/2, 1/2, 1/2}, {-11/2, 0, 0}, {-1/2, 1/2, 1/2}}, {{-9/2, 0, 0}, {-3/2, 1/2, 1/2}, {-1/2, 0, 0}, {-11/2, 1/2, 1/2}}, {{-7/2, 0, 0}, {-5/2, 1/2, 1/2}, {-3/2, 0, 0}, {-9/2, 1/2, 1/2}}, {{-5/2, 0, 0}, {-7/2, 1/2, 1/2}}}, {{{0, 0, 0}, {-6, 1/2, 1/2}, {-5, 0, 0}, {-1, 1/2, 1/2}}, {{-6, 0, 0}, {-7, 1/2, 1/2}}, {{-4, 0, 0}, {-2, 1/2, 1/2}, {-1, 0, 0}, {-5, 1/2, 1/2}}, {{-3, 0, 0}, {-3, 1/2, 1/2}, {-2, 0, 0}, {-4, 1/2, 1/2}}}}${{{{(-1 + x + 2*z)/7, y, z}, {(-x - 2*(3 + z))/7, 1/2 + y, 1/2 - z}, {(-x - 2*(3 + z))/7, -y, -z}, {(-1 + x + 2*z)/7, 1/2 - y, 1/2 + z}}, {{(-7 + x + 2*z)/7, y, z}, {(-7 - x - 2*z)/7, 1/2 + y, 1/2 - z}, {(-7 - x - 2*z)/7, -y, -z}, {(-7 + x + 2*z)/7, 1/2 - y, 1/2 + z}}, {{(-6 + x + 2*z)/7, y, z}, {(-1 - x - 2*z)/7, 1/2 + y, 1/2 - z}, {(-1 - x - 2*z)/7, -y, -z}, {(-6 + x + 2*z)/7, 1/2 - y, 1/2 + z}}, {{(-5 + x + 2*z)/7, y, z}, {(-x - 2*(1 + z))/7, 1/2 + y, 1/2 - z}, {(-x - 2*(1 + z))/7, -y, -z}, {(-5 + x + 2*z)/7, 1/2 - y, 1/2 + z}}, {{(-4 + x + 2*z)/7, y, z}, {(-3 - x - 2*z)/7, 1/2 + y, 1/2 - z}, {(-3 - x - 2*z)/7, -y, -z}, {(-4 + x + 2*z)/7, 1/2 - y, 1/2 + z}}, {{(-3 + x + 2*z)/7, y, z}, {(-x - 2*(2 + z))/7, 1/2 + y, 1/2 - z}, {(-x - 2*(2 + z))/7, -y, -z}, {(-3 + x + 2*z)/7, 1/2 - y, 1/2 + z}}, {{(-2 + x + 2*z)/7, y, z}, {(-5 - x - 2*z)/7, 1/2 + y, 1/2 - z}, {(-5 - x - 2*z)/7, -y, -z}, {(-2 + x + 2*z)/7, 1/2 - y, 1/2 + z}}}, {{{-13/14, 0, 1/2}, {-1/14, 1/2, 0}, {-1/14, 0, 1/2}, {-13/14, 1/2, 0}}, {{-11/14, 0, 1/2}, {-3/14, 1/2, 0}, {-3/14, 0, 1/2}, {-11/14, 1/2, 0}}, {{-9/14, 0, 1/2}, {-5/14, 1/2, 0}, {-5/14, 0, 1/2}, {-9/14, 1/2, 0}}, {{-1/2, 0, 1/2}, {-1/2, 1/2, 0}}}, {{{-1, 0, 1/2}, {-1, 1/2, 0}}, {{-6/7, 0, 1/2}, {-1/7, 1/2, 0}, {-1/7, 0, 1/2}, {-6/7, 1/2, 0}}, {{-5/7, 0, 1/2}, {-2/7, 1/2, 0}, {-2/7, 0, 1/2}, {-5/7, 1/2, 0}}, {{-4/7, 0, 1/2}, {-3/7, 1/2, 0}, {-3/7, 0, 1/2}, {-4/7, 1/2, 0}}}, {{{-1/14, 0, 0}, {-13/14, 1/2, 1/2}, {-13/14, 0, 0}, {-1/14, 1/2, 1/2}}, {{-11/14, 0, 0}, {-3/14, 1/2, 1/2}, {-3/14, 0, 0}, {-11/14, 1/2, 1/2}}, {{-9/14, 0, 0}, {-5/14, 1/2, 1/2}, {-5/14, 0, 0}, {-9/14, 1/2, 1/2}}, {{-1/2, 0, 0}, {-1/2, 1/2, 1/2}}}, {{{-1/7, 0, 0}, {-6/7, 1/2, 1/2}, {-6/7, 0, 0}, {-1/7, 1/2, 1/2}}, {{-1, 0, 0}, {-1, 1/2, 1/2}}, {{-5/7, 0, 0}, {-2/7, 1/2, 1/2}, {-2/7, 0, 0}, {-5/7, 1/2, 1/2}}, {{-4/7, 0, 0}, {-3/7, 1/2, 1/2}, {-3/7, 0, 0}, {-4/7, 1/2, 1/2}}}}${{{{x, y, z}, {-x, 1/2 + y, 1/2 - z}, {-x, -y, -z}, {x, 1/2 - y, 1/2 + z}}, {{x, y, z}, {-x, 1/2 + y, 1/2 - z}, {-x, -y, -z}, {x, 1/2 - y, 1/2 + z}}, {{x, y, z}, {-x, 1/2 + y, 1/2 - z}, {-x, -y, -z}, {x, 1/2 - y, 1/2 + z}}, {{x, y, z}, {-x, 1/2 + y, 1/2 - z}, {-x, -y, -z}, {x, 1/2 - y, 1/2 + z}}, {{x, y, z}, {-x, 1/2 + y, 1/2 - z}, {-x, -y, -z}, {x, 1/2 - y, 1/2 + z}}, {{x, y, z}, {-x, 1/2 + y, 1/2 - z}, {-x, -y, -z}, {x, 1/2 - y, 1/2 + z}}, {{x, y, z}, {-x, 1/2 + y, 1/2 - z}, {-x, -y, -z}, {x, 1/2 - y, 1/2 + z}}}, {{{x, y, z}, {-x, 1/2 + y, 1/2 - z}, {-x, -y, -z}, {x, 1/2 - y, 1/2 + z}}, {{x, y, z}, {-x, 1/2 + y, 1/2 - z}, {-x, -y, -z}, {x, 1/2 - y, 1/2 + z}}, {{x, y, z}, {-x, 1/2 + y, 1/2 - z}, {-x, -y, -z}, {x, 1/2 - y, 1/2 + z}}, {{1/2, 0, 1/2}, {1/2, 1/2, 0}}}, {{{0, 0, 1/2}, {0, 1/2, 0}}, {{x, y, z}, {-x, 1/2 + y, 1/2 - z}, {-x, -y, -z}, {x, 1/2 - y, 1/2 + z}}, {{x, y, z}, {-x, 1/2 + y, 1/2 - z}, {-x, -y, -z}, {x, 1/2 - y, 1/2 + z}}, {{x, y, z}, {-x, 1/2 + y, 1/2 - z}, {-x, -y, -z}, {x, 1/2 - y, 1/2 + z}}}, {{{x, y, z}, {-x, 1/2 + y, 1/2 - z}, {-x, -y, -z}, {x, 1/2 - y, 1/2 + z}}, {{x, y, z}, {-x, 1/2 + y, 1/2 - z}, {-x, -y, -z}, {x, 1/2 - y, 1/2 + z}}, {{x, y, z}, {-x, 1/2 + y, 1/2 - z}, {-x, -y, -z}, {x, 1/2 - y, 1/2 + z}}, {{1/2, 0, 0}, {1/2, 1/2, 1/2}}}, {{{x, y, z}, {-x, 1/2 + y, 1/2 - z}, {-x, -y, -z}, {x, 1/2 - y, 1/2 + z}}, {{0, 0, 0}, {0, 1/2, 1/2}}, {{x, y, z}, {-x, 1/2 + y, 1/2 - z}, {-x, -y, -z}, {x, 1/2 - y, 1/2 + z}}, {{x, y, z}, {-x, 1/2 + y, 1/2 - z}, {-x, -y, -z}, {x, 1/2 - y, 1/2 + z}}}}&OK! (#)

Listed with respect to the BNS setting:


Listed with respect to the OG setting:



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