# generated using pymatgen data_NiSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.13446100 _cell_length_b 5.22928700 _cell_length_c 24.96070200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NiSn _chemical_formula_sum 'Ni16 Sn16' _cell_volume 539.65744510 _cell_formula_units_Z 16 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' 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 Ni Ni0 1 0.00000000 0.71689900 0.39396500 1.0 Ni Ni1 1 0.00000000 0.21689900 0.10603500 1.0 Ni Ni2 1 0.50000000 0.21303700 0.25546100 1.0 Ni Ni3 1 0.50000000 0.00273200 0.64079500 1.0 Ni Ni4 1 0.50000000 0.50273200 0.85920500 1.0 Ni Ni5 1 0.50000000 0.28696300 0.75546100 1.0 Ni Ni6 1 0.00000000 0.00000000 0.50000000 1.0 Ni Ni7 1 0.50000000 0.99726800 0.35920500 1.0 Ni Ni8 1 0.50000000 0.78696300 0.74453900 1.0 Ni Ni9 1 0.00000000 0.78310100 0.89396500 1.0 Ni Ni10 1 0.50000000 0.71303700 0.24453900 1.0 Ni Ni11 1 0.00000000 0.28310100 0.60603500 1.0 Ni Ni12 1 0.50000000 0.49726800 0.14079500 1.0 Ni Ni13 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni14 1 0.00000000 0.50000000 0.50000000 1.0 Ni Ni15 1 0.00000000 0.50000000 0.00000000 1.0 Sn Sn16 1 0.50000000 0.25480400 0.03920700 1.0 Sn Sn17 1 0.00000000 0.27754100 0.90970300 1.0 Sn Sn18 1 0.00000000 0.72245900 0.09029700 1.0 Sn Sn19 1 0.50000000 0.00085500 0.83914700 1.0 Sn Sn20 1 0.50000000 0.74519600 0.96079300 1.0 Sn Sn21 1 0.00000000 0.77754100 0.59029700 1.0 Sn Sn22 1 0.00000000 0.94706400 0.29000000 1.0 Sn Sn23 1 0.00000000 0.44706400 0.21000000 1.0 Sn Sn24 1 0.00000000 0.55293600 0.79000000 1.0 Sn Sn25 1 0.50000000 0.24519600 0.53920700 1.0 Sn Sn26 1 0.00000000 0.22245900 0.40970300 1.0 Sn Sn27 1 0.50000000 0.75480400 0.46079300 1.0 Sn Sn28 1 0.00000000 0.05293600 0.71000000 1.0 Sn Sn29 1 0.50000000 0.50085500 0.66085300 1.0 Sn Sn30 1 0.50000000 0.99914500 0.16085300 1.0 Sn Sn31 1 0.50000000 0.49914500 0.33914700 1.0