MAGNDATA - Collection of Magnetic Structures

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	x,-y,z,+1	{ m₀₁₀ \| 0 }
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3	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
4	x+1/2,-y+1/2,z,+1	{ m₀₁₀ \| 1/2 1/2 0 }
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5	x+1/2,y,z+1/2,+1	{ 1 \| 1/2 0 1/2 }
6	x+1/2,-y,z+1/2,+1	{ m₀₁₀ \| 1/2 0 1/2 }
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7	x,y+1/2,z+1/2,+1	{ 1 \| 0 1/2 1/2 }
8	x,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 0 1/2 1/2 }
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9	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
10	x+1/2,-y,z,-1	{ m'₀₁₀ \| 1/2 0 0 }
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11	x,y+1/2,z,-1	{ 1' \| 0 1/2 0 }
12	x,-y+1/2,z,-1	{ m'₀₁₀ \| 0 1/2 0 }
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13	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
14	x,-y,z+1/2,-1	{ m'₀₁₀ \| 0 0 1/2 }
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15	x+1/2,y+1/2,z+1/2,-1	{ 1' \| 1/2 1/2 1/2 }
16	x+1/2,-y+1/2,z+1/2,-1	{ m'₀₁₀ \| 1/2 1/2 1/2 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x,-y,z,+1	m₀₁₀
1' + set click here to show and hide
3	x,y,z,-1	1'
4	x,-y,z,-1	m'₀₁₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1_1_1	Fe	-0.3714	0.1321	-0.1763	16	m_x,m_y,m_z	2.13	0.68	1.26	2.57
Fe1_1_2	Fe	0.3716	0.3651	0.0737	16	m_x,m_y,m_z	2.13	-0.68	-1.26	2.57
Fe1_2_1	Fe	0.1214	0.1281	0.1763	16	m_x,m_y,m_z	2.13	0.68	-1.26	2.57
Fe1_2_2	Fe	-0.1216	0.3701	0.4263	16	m_x,m_y,m_z	2.13	-0.68	1.26	2.57

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ba1_1_1	Ba	-0.2177	0.25	-0.2620	8
Ba1_1_2	Ba	0.2178	0.5	-0.0121	8
Ba1_2_1	Ba	-0.0322	0	0.2620	8
Ba1_2_2	Ba	0.0323	0.25	0.5120	8
Se1_1_1	Se	-0.3020	0.25	-0.1159	8
Se1_1_2	Se	0.3019	0.5	0.1341	8
Se1_2_1	Se	0.0520	0	0.1159	8
Se1_2_2	Se	-0.0520	0.25	0.3659	8
Se2_1_1	Se	-0.4388	0.25	-0.2447	8
Se2_1_2	Se	0.4388	0.5	0.0053	8
Se2_2_1	Se	0.1888	0	0.2447	8
Se2_2_2	Se	-0.1888	0.25	0.4947	8
Se3_1_1	Se	-0.3261	0.25	-0.4089	8
Se3_1_2	Se	0.3261	0.5	-0.1589	8
Se3_2_1	Se	0.0761	0	0.4089	8
Se3_2_2	Se	-0.0761	0.25	0.6589	8

[Show all atoms in unit cell and their moment relations]

Positions and magnetic moments of all atoms in unit cell, with magnetic moment relations explicitly given:

Magnetic atoms:

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1_1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.62860	0.13210	0.82370	m_x,m_y,m_z	2.13000	0.68000	1.26000
2	0.62860	0.86790	0.82370	-m_x,m_y,-m_z	-2.13000	0.68000	-1.26000
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3	0.12860	0.63210	0.82370	m_x,m_y,m_z	2.13000	0.68000	1.26000
4	0.12860	0.36790	0.82370	-m_x,m_y,-m_z	-2.13000	0.68000	-1.26000
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5	0.12860	0.13210	0.32370	m_x,m_y,m_z	2.13000	0.68000	1.26000
6	0.12860	0.86790	0.32370	-m_x,m_y,-m_z	-2.13000	0.68000	-1.26000
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7	0.62860	0.63210	0.32370	m_x,m_y,m_z	2.13000	0.68000	1.26000
8	0.62860	0.36790	0.32370	-m_x,m_y,-m_z	-2.13000	0.68000	-1.26000
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9	0.12860	0.13210	0.82370	-m_x,-m_y,-m_z	-2.13000	-0.68000	-1.26000
10	0.12860	0.86790	0.82370	m_x,-m_y,m_z	2.13000	-0.68000	1.26000
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11	0.62860	0.63210	0.82370	-m_x,-m_y,-m_z	-2.13000	-0.68000	-1.26000
12	0.62860	0.36790	0.82370	m_x,-m_y,m_z	2.13000	-0.68000	1.26000
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13	0.62860	0.13210	0.32370	-m_x,-m_y,-m_z	-2.13000	-0.68000	-1.26000
14	0.62860	0.86790	0.32370	m_x,-m_y,m_z	2.13000	-0.68000	1.26000
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15	0.12860	0.63210	0.32370	-m_x,-m_y,-m_z	-2.13000	-0.68000	-1.26000
16	0.12860	0.36790	0.32370	m_x,-m_y,m_z	2.13000	-0.68000	1.26000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1_1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.37160	0.36510	0.07370	m_x,m_y,m_z	2.13000	-0.68000	-1.26000
2	0.37160	0.63490	0.07370	-m_x,m_y,-m_z	-2.13000	-0.68000	1.26000
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3	0.87160	0.86510	0.07370	m_x,m_y,m_z	2.13000	-0.68000	-1.26000
4	0.87160	0.13490	0.07370	-m_x,m_y,-m_z	-2.13000	-0.68000	1.26000
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5	0.87160	0.36510	0.57370	m_x,m_y,m_z	2.13000	-0.68000	-1.26000
6	0.87160	0.63490	0.57370	-m_x,m_y,-m_z	-2.13000	-0.68000	1.26000
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7	0.37160	0.86510	0.57370	m_x,m_y,m_z	2.13000	-0.68000	-1.26000
8	0.37160	0.13490	0.57370	-m_x,m_y,-m_z	-2.13000	-0.68000	1.26000
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9	0.87160	0.36510	0.07370	-m_x,-m_y,-m_z	-2.13000	0.68000	1.26000
10	0.87160	0.63490	0.07370	m_x,-m_y,m_z	2.13000	0.68000	-1.26000
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11	0.37160	0.86510	0.07370	-m_x,-m_y,-m_z	-2.13000	0.68000	1.26000
12	0.37160	0.13490	0.07370	m_x,-m_y,m_z	2.13000	0.68000	-1.26000
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13	0.37160	0.36510	0.57370	-m_x,-m_y,-m_z	-2.13000	0.68000	1.26000
14	0.37160	0.63490	0.57370	m_x,-m_y,m_z	2.13000	0.68000	-1.26000
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15	0.87160	0.86510	0.57370	-m_x,-m_y,-m_z	-2.13000	0.68000	1.26000
16	0.87160	0.13490	0.57370	m_x,-m_y,m_z	2.13000	0.68000	-1.26000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1_2_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.12140	0.12810	0.17630	m_x,m_y,m_z	2.13000	0.68000	-1.26000
2	0.12140	0.87190	0.17630	-m_x,m_y,-m_z	-2.13000	0.68000	1.26000
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3	0.62140	0.62810	0.17630	m_x,m_y,m_z	2.13000	0.68000	-1.26000
4	0.62140	0.37190	0.17630	-m_x,m_y,-m_z	-2.13000	0.68000	1.26000
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5	0.62140	0.12810	0.67630	m_x,m_y,m_z	2.13000	0.68000	-1.26000
6	0.62140	0.87190	0.67630	-m_x,m_y,-m_z	-2.13000	0.68000	1.26000
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7	0.12140	0.62810	0.67630	m_x,m_y,m_z	2.13000	0.68000	-1.26000
8	0.12140	0.37190	0.67630	-m_x,m_y,-m_z	-2.13000	0.68000	1.26000
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9	0.62140	0.12810	0.17630	-m_x,-m_y,-m_z	-2.13000	-0.68000	1.26000
10	0.62140	0.87190	0.17630	m_x,-m_y,m_z	2.13000	-0.68000	-1.26000
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11	0.12140	0.62810	0.17630	-m_x,-m_y,-m_z	-2.13000	-0.68000	1.26000
12	0.12140	0.37190	0.17630	m_x,-m_y,m_z	2.13000	-0.68000	-1.26000
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13	0.12140	0.12810	0.67630	-m_x,-m_y,-m_z	-2.13000	-0.68000	1.26000
14	0.12140	0.87190	0.67630	m_x,-m_y,m_z	2.13000	-0.68000	-1.26000
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15	0.62140	0.62810	0.67630	-m_x,-m_y,-m_z	-2.13000	-0.68000	1.26000
16	0.62140	0.37190	0.67630	m_x,-m_y,m_z	2.13000	-0.68000	-1.26000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1_2_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.87840	0.37010	0.42630	m_x,m_y,m_z	2.13000	-0.68000	1.26000
2	0.87840	0.62990	0.42630	-m_x,m_y,-m_z	-2.13000	-0.68000	-1.26000
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3	0.37840	0.87010	0.42630	m_x,m_y,m_z	2.13000	-0.68000	1.26000
4	0.37840	0.12990	0.42630	-m_x,m_y,-m_z	-2.13000	-0.68000	-1.26000
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5	0.37840	0.37010	0.92630	m_x,m_y,m_z	2.13000	-0.68000	1.26000
6	0.37840	0.62990	0.92630	-m_x,m_y,-m_z	-2.13000	-0.68000	-1.26000
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7	0.87840	0.87010	0.92630	m_x,m_y,m_z	2.13000	-0.68000	1.26000
8	0.87840	0.12990	0.92630	-m_x,m_y,-m_z	-2.13000	-0.68000	-1.26000
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9	0.37840	0.37010	0.42630	-m_x,-m_y,-m_z	-2.13000	0.68000	-1.26000
10	0.37840	0.62990	0.42630	m_x,-m_y,m_z	2.13000	0.68000	1.26000
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11	0.87840	0.87010	0.42630	-m_x,-m_y,-m_z	-2.13000	0.68000	-1.26000
12	0.87840	0.12990	0.42630	m_x,-m_y,m_z	2.13000	0.68000	1.26000
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13	0.87840	0.37010	0.92630	-m_x,-m_y,-m_z	-2.13000	0.68000	-1.26000
14	0.87840	0.62990	0.92630	m_x,-m_y,m_z	2.13000	0.68000	1.26000
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15	0.37840	0.87010	0.92630	-m_x,-m_y,-m_z	-2.13000	0.68000	-1.26000
16	0.37840	0.12990	0.92630	m_x,-m_y,m_z	2.13000	0.68000	1.26000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ba1_1_1:

Atom	x	y	z
1	0.78230	0.25000	0.73800
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2	0.28230	0.75000	0.73800
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3	0.28230	0.25000	0.23800
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4	0.78230	0.75000	0.23800
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5	0.28230	0.25000	0.73800
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6	0.78230	0.75000	0.73800
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7	0.78230	0.25000	0.23800
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8	0.28230	0.75000	0.23800

Set of atoms in the unit cell related by symmetry with the atom Ba1_1_2:

Atom	x	y	z
1	0.21780	0.50000	0.98790
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2	0.71780	0.00000	0.98790
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3	0.71780	0.50000	0.48790
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4	0.21780	0.00000	0.48790
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5	0.71780	0.50000	0.98790
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6	0.21780	0.00000	0.98790
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7	0.21780	0.50000	0.48790
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8	0.71780	0.00000	0.48790

Set of atoms in the unit cell related by symmetry with the atom Ba1_2_1:

Atom	x	y	z
1	0.96780	0.00000	0.26200
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2	0.46780	0.50000	0.26200
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3	0.46780	0.00000	0.76200
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4	0.96780	0.50000	0.76200
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5	0.46780	0.00000	0.26200
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6	0.96780	0.50000	0.26200
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7	0.96780	0.00000	0.76200
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8	0.46780	0.50000	0.76200

Set of atoms in the unit cell related by symmetry with the atom Ba1_2_2:

Atom	x	y	z
1	0.03230	0.25000	0.51200
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2	0.53230	0.75000	0.51200
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3	0.53230	0.25000	0.01200
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4	0.03230	0.75000	0.01200
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5	0.53230	0.25000	0.51200
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6	0.03230	0.75000	0.51200
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7	0.03230	0.25000	0.01200
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8	0.53230	0.75000	0.01200

Set of atoms in the unit cell related by symmetry with the atom Se1_1_1:

Atom	x	y	z
1	0.69800	0.25000	0.88410
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2	0.19800	0.75000	0.88410
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3	0.19800	0.25000	0.38410
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4	0.69800	0.75000	0.38410
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5	0.19800	0.25000	0.88410
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6	0.69800	0.75000	0.88410
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7	0.69800	0.25000	0.38410
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8	0.19800	0.75000	0.38410

Set of atoms in the unit cell related by symmetry with the atom Se1_1_2:

Atom	x	y	z
1	0.30190	0.50000	0.13410
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2	0.80190	0.00000	0.13410
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3	0.80190	0.50000	0.63410
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4	0.30190	0.00000	0.63410
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5	0.80190	0.50000	0.13410
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6	0.30190	0.00000	0.13410
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7	0.30190	0.50000	0.63410
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8	0.80190	0.00000	0.63410

Set of atoms in the unit cell related by symmetry with the atom Se1_2_1:

Atom	x	y	z
1	0.05200	0.00000	0.11590
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2	0.55200	0.50000	0.11590
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3	0.55200	0.00000	0.61590
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4	0.05200	0.50000	0.61590
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5	0.55200	0.00000	0.11590
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6	0.05200	0.50000	0.11590
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7	0.05200	0.00000	0.61590
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8	0.55200	0.50000	0.61590

Set of atoms in the unit cell related by symmetry with the atom Se1_2_2:

Atom	x	y	z
1	0.94800	0.25000	0.36590
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2	0.44800	0.75000	0.36590
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3	0.44800	0.25000	0.86590
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4	0.94800	0.75000	0.86590
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5	0.44800	0.25000	0.36590
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6	0.94800	0.75000	0.36590
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7	0.94800	0.25000	0.86590
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8	0.44800	0.75000	0.86590

Set of atoms in the unit cell related by symmetry with the atom Se2_1_1:

Atom	x	y	z
1	0.56120	0.25000	0.75530
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2	0.06120	0.75000	0.75530
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3	0.06120	0.25000	0.25530
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4	0.56120	0.75000	0.25530
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5	0.06120	0.25000	0.75530
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6	0.56120	0.75000	0.75530
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7	0.56120	0.25000	0.25530
(1/2,1/2,1/2)' + set click here to show and hide
8	0.06120	0.75000	0.25530

Set of atoms in the unit cell related by symmetry with the atom Se2_1_2:

Atom	x	y	z
1	0.43880	0.50000	0.00530
(1/2,1/2,0) + set click here to show and hide
2	0.93880	0.00000	0.00530
(1/2,0,1/2) + set click here to show and hide
3	0.93880	0.50000	0.50530
(0,1/2,1/2) + set click here to show and hide
4	0.43880	0.00000	0.50530
(1/2,0,0)' + set click here to show and hide
5	0.93880	0.50000	0.00530
(0,1/2,0)' + set click here to show and hide
6	0.43880	0.00000	0.00530
(0,0,1/2)' + set click here to show and hide
7	0.43880	0.50000	0.50530
(1/2,1/2,1/2)' + set click here to show and hide
8	0.93880	0.00000	0.50530

Set of atoms in the unit cell related by symmetry with the atom Se2_2_1:

Atom	x	y	z
1	0.18880	0.00000	0.24470
(1/2,1/2,0) + set click here to show and hide
2	0.68880	0.50000	0.24470
(1/2,0,1/2) + set click here to show and hide
3	0.68880	0.00000	0.74470
(0,1/2,1/2) + set click here to show and hide
4	0.18880	0.50000	0.74470
(1/2,0,0)' + set click here to show and hide
5	0.68880	0.00000	0.24470
(0,1/2,0)' + set click here to show and hide
6	0.18880	0.50000	0.24470
(0,0,1/2)' + set click here to show and hide
7	0.18880	0.00000	0.74470
(1/2,1/2,1/2)' + set click here to show and hide
8	0.68880	0.50000	0.74470

Set of atoms in the unit cell related by symmetry with the atom Se2_2_2:

Atom	x	y	z
1	0.81120	0.25000	0.49470
(1/2,1/2,0) + set click here to show and hide
2	0.31120	0.75000	0.49470
(1/2,0,1/2) + set click here to show and hide
3	0.31120	0.25000	0.99470
(0,1/2,1/2) + set click here to show and hide
4	0.81120	0.75000	0.99470
(1/2,0,0)' + set click here to show and hide
5	0.31120	0.25000	0.49470
(0,1/2,0)' + set click here to show and hide
6	0.81120	0.75000	0.49470
(0,0,1/2)' + set click here to show and hide
7	0.81120	0.25000	0.99470
(1/2,1/2,1/2)' + set click here to show and hide
8	0.31120	0.75000	0.99470

Set of atoms in the unit cell related by symmetry with the atom Se3_1_1:

Atom	x	y	z
1	0.67390	0.25000	0.59110
(1/2,1/2,0) + set click here to show and hide
2	0.17390	0.75000	0.59110
(1/2,0,1/2) + set click here to show and hide
3	0.17390	0.25000	0.09110
(0,1/2,1/2) + set click here to show and hide
4	0.67390	0.75000	0.09110
(1/2,0,0)' + set click here to show and hide
5	0.17390	0.25000	0.59110
(0,1/2,0)' + set click here to show and hide
6	0.67390	0.75000	0.59110
(0,0,1/2)' + set click here to show and hide
7	0.67390	0.25000	0.09110
(1/2,1/2,1/2)' + set click here to show and hide
8	0.17390	0.75000	0.09110

Set of atoms in the unit cell related by symmetry with the atom Se3_1_2:

Atom	x	y	z
1	0.32610	0.50000	0.84110
(1/2,1/2,0) + set click here to show and hide
2	0.82610	0.00000	0.84110
(1/2,0,1/2) + set click here to show and hide
3	0.82610	0.50000	0.34110
(0,1/2,1/2) + set click here to show and hide
4	0.32610	0.00000	0.34110
(1/2,0,0)' + set click here to show and hide
5	0.82610	0.50000	0.84110
(0,1/2,0)' + set click here to show and hide
6	0.32610	0.00000	0.84110
(0,0,1/2)' + set click here to show and hide
7	0.32610	0.50000	0.34110
(1/2,1/2,1/2)' + set click here to show and hide
8	0.82610	0.00000	0.34110

Set of atoms in the unit cell related by symmetry with the atom Se3_2_1:

Atom	x	y	z
1	0.07610	0.00000	0.40890
(1/2,1/2,0) + set click here to show and hide
2	0.57610	0.50000	0.40890
(1/2,0,1/2) + set click here to show and hide
3	0.57610	0.00000	0.90890
(0,1/2,1/2) + set click here to show and hide
4	0.07610	0.50000	0.90890
(1/2,0,0)' + set click here to show and hide
5	0.57610	0.00000	0.40890
(0,1/2,0)' + set click here to show and hide
6	0.07610	0.50000	0.40890
(0,0,1/2)' + set click here to show and hide
7	0.07610	0.00000	0.90890
(1/2,1/2,1/2)' + set click here to show and hide
8	0.57610	0.50000	0.90890

Set of atoms in the unit cell related by symmetry with the atom Se3_2_2:

Atom	x	y	z
1	0.92390	0.25000	0.65890
(1/2,1/2,0) + set click here to show and hide
2	0.42390	0.75000	0.65890
(1/2,0,1/2) + set click here to show and hide
3	0.42390	0.25000	0.15890
(0,1/2,1/2) + set click here to show and hide
4	0.92390	0.75000	0.15890
(1/2,0,0)' + set click here to show and hide
5	0.42390	0.25000	0.65890
(0,1/2,0)' + set click here to show and hide
6	0.92390	0.75000	0.65890
(0,0,1/2)' + set click here to show and hide
7	0.92390	0.25000	0.15890
(1/2,1/2,1/2)' + set click here to show and hide
8	0.42390	0.75000	0.15890

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1_1_1	Fe	-0.3714	0.1321	-0.1763	16	m_x,m_y,m_z	2.13	0.68	1.26	2.57
Fe1_1_2	Fe	0.3716	0.3651	0.0737	16	m_x,m_y,m_z	2.13	-0.68	-1.26	2.57
Fe1_2_1	Fe	0.1214	0.1281	0.1763	16	m_x,m_y,m_z	2.13	0.68	-1.26	2.57
Fe1_2_2	Fe	-0.1216	0.3701	0.4263	16	m_x,m_y,m_z	2.13	-0.68	1.26	2.57

[Show all magnetic atoms in unit cell and their moment relations]

Positions and magnetic moments of all atoms in unit cell, with magnetic moment relations explicitly given: