# generated using pymatgen data_Ni3(BiSe)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.93853334 _cell_length_b 6.93853334 _cell_length_c 8.10842258 _cell_angle_alpha 56.59389839 _cell_angle_beta 56.59389839 _cell_angle_gamma 72.36530509 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni3(BiSe)2 _chemical_formula_sum 'Ni6 Bi4 Se4' _cell_volume 272.03538572 _cell_formula_units_Z 2 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 0.27801477 0.72198523 0.50000000 1.0 Ni Ni1 1 0.72198523 0.27801477 0.50000000 1.0 Ni Ni2 1 0.98086207 0.98086207 0.79381403 1.0 Ni Ni3 1 0.01913793 0.01913793 0.20618597 1.0 Ni Ni4 1 -0.00000000 0.50000000 0.50000000 1.0 Ni Ni5 1 0.50000000 -0.00000000 0.50000000 1.0 Bi Bi6 1 0.79019232 0.79019232 0.69102880 1.0 Bi Bi7 1 0.20980768 0.20980768 0.30897120 1.0 Bi Bi8 1 0.74940724 0.74940724 0.25978408 1.0 Bi Bi9 1 0.25059276 0.25059276 0.74021592 1.0 Se Se10 1 0.25539816 0.69537628 0.80470123 1.0 Se Se11 1 0.30462372 0.74460184 0.19529877 1.0 Se Se12 1 0.74460184 0.30462372 0.19529877 1.0 Se Se13 1 0.69537628 0.25539816 0.80470123 1.0