# generated using pymatgen data_Ni3(BiS)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.85671004 _cell_length_b 6.85661077 _cell_length_c 11.44681107 _cell_angle_alpha 90.44465995 _cell_angle_beta 90.44474553 _cell_angle_gamma 71.87116336 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni3(BiS)2 _chemical_formula_sum 'Ni12 Bi8 S8' _cell_volume 511.41992843 _cell_formula_units_Z 4 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 0.12398744 0.12399104 0.14566842 1.0 Ni Ni1 1 0.87601156 0.87600896 0.85433158 1.0 Ni Ni2 1 -0.00000000 0.49999900 0.50000100 1.0 Ni Ni3 1 0.76802221 0.23200504 0.50000226 1.0 Ni Ni4 1 0.26801327 0.73201472 0.00000051 1.0 Ni Ni5 1 0.62395523 0.62396727 0.64566564 1.0 Ni Ni6 1 0.50000000 -0.00000000 0.50000000 1.0 Ni Ni7 1 0.73198573 0.26798428 -0.00000251 1.0 Ni Ni8 1 0.00000100 0.50000000 -0.00000000 1.0 Ni Ni9 1 0.23197879 0.76799596 0.49999974 1.0 Ni Ni10 1 0.37604477 0.37603173 0.35433436 1.0 Ni Ni11 1 0.50000000 0.00000100 -0.00000000 1.0 Bi Bi12 1 0.62685393 0.62685078 0.87886969 1.0 Bi Bi13 1 0.61708586 0.61708636 0.38995725 1.0 Bi Bi14 1 0.38291414 0.38291364 0.61004275 1.0 Bi Bi15 1 0.11699237 0.11699337 0.89001637 1.0 Bi Bi16 1 0.87316187 0.87316631 0.62097888 1.0 Bi Bi17 1 0.37314607 0.37314922 0.12113031 1.0 Bi Bi18 1 0.88300763 0.88300663 0.10998363 1.0 Bi Bi19 1 0.12683813 0.12683469 0.37902112 1.0 S S20 1 0.14208958 0.60436111 0.85535371 1.0 S S21 1 0.39564743 0.85792256 0.14465341 1.0 S S22 1 0.85791142 0.39563789 0.14464729 1.0 S S23 1 0.60435357 0.14207744 0.85534659 1.0 S S24 1 0.64209804 0.10436599 0.35530722 1.0 S S25 1 0.10436460 0.64208255 0.35530067 1.0 S S26 1 0.35790096 0.89563501 0.64469278 1.0 S S27 1 0.89563540 0.35791845 0.64469833 1.0