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# generated using pymatgen
data_NdSiRu
_symmetry_space_group_name_H-M P4/nmm
_cell_length_a 4.22194715
_cell_length_b 4.22194715
_cell_length_c 6.93978618
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 129
_chemical_formula_structural NdSiRu
_chemical_formula_sum 'Nd2 Si2 Ru2'
_cell_volume 123.70056259
_cell_formula_units_Z 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
2 '-y+1/2, x+1/2, z'
3 '-x, -y, z'
4 'y+1/2, -x+1/2, z'
5 'x+1/2, -y+1/2, -z'
6 '-y, -x, -z'
7 '-x+1/2, y+1/2, -z'
8 'y, x, -z'
9 '-x+1/2, -y+1/2, -z'
10 'y, -x, -z'
11 'x+1/2, y+1/2, -z'
12 '-y, x, -z'
13 '-x, y, z'
14 'y+1/2, x+1/2, z'
15 'x, -y, z'
16 '-y+1/2, -x+1/2, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Nd2+ 2.0
Si4- -4.0
Ru2+ 2.0
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Nd2+ Nd0 2 0.00000000 0.50000000 0.31849090 1
Si4- Si1 2 0.00000000 0.50000000 0.82833210 1
Ru2+ Ru2 2 0.00000000 0.00000000 0.00000000 1
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