# generated using pymatgen data_Ni8Bi8S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17633961 _cell_length_b 10.33763998 _cell_length_c 17.99033297 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni8Bi8S _chemical_formula_sum 'Ni16 Bi16 S2' _cell_volume 776.70555633 _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 0.49965069 0.81669443 0.96857342 1.0 Ni Ni1 1 0.49965069 0.18330557 0.03142658 1.0 Ni Ni2 1 0.50034931 0.68330557 0.46857342 1.0 Ni Ni3 1 0.50034931 0.31669443 0.53142658 1.0 Ni Ni4 1 0.00099595 0.91122209 0.90482714 1.0 Ni Ni5 1 0.00099595 0.08877791 0.09517286 1.0 Ni Ni6 1 0.99900405 0.58877791 0.40482714 1.0 Ni Ni7 1 0.99900405 0.41122209 0.59517286 1.0 Ni Ni8 1 0.99942009 0.82926322 0.05182881 1.0 Ni Ni9 1 0.99942009 0.17073678 0.94817119 1.0 Ni Ni10 1 0.00057991 0.67073678 0.55182881 1.0 Ni Ni11 1 0.00057991 0.32926322 0.44817119 1.0 Ni Ni12 1 0.49936731 0.94272977 0.10418527 1.0 Ni Ni13 1 0.49936731 0.05727023 0.89581473 1.0 Ni Ni14 1 0.50063269 0.55727023 0.60418527 1.0 Ni Ni15 1 0.50063269 0.44272977 0.39581473 1.0 Bi Bi16 1 0.49546992 0.83483285 0.81961888 1.0 Bi Bi17 1 0.49546992 0.16516715 0.18038112 1.0 Bi Bi18 1 0.50453008 0.66516715 0.31961888 1.0 Bi Bi19 1 0.50453008 0.33483285 0.68038112 1.0 Bi Bi20 1 0.49581135 0.68379718 0.09632912 1.0 Bi Bi21 1 0.49581135 0.31620282 0.90367088 1.0 Bi Bi22 1 0.50418865 0.81620282 0.59632912 1.0 Bi Bi23 1 0.50418865 0.18379718 0.40367088 1.0 Bi Bi24 1 0.00384263 0.65881083 0.93899962 1.0 Bi Bi25 1 0.00384263 0.34118917 0.06100038 1.0 Bi Bi26 1 0.99615737 0.84118917 0.43899962 1.0 Bi Bi27 1 0.99615737 0.15881083 0.56100038 1.0 Bi Bi28 1 0.00392380 0.89831201 0.19589325 1.0 Bi Bi29 1 0.00392380 0.10168799 0.80410675 1.0 Bi Bi30 1 0.99607620 0.60168799 0.69589325 1.0 Bi Bi31 1 0.99607620 0.39831201 0.30410675 1.0 S S32 1 0.74883500 -0.00000000 0.00000000 1.0 S S33 1 0.25116500 0.50000000 0.50000000 1.0