# generated using pymatgen data_Hf18NiMo8S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.49468898 _cell_length_b 8.62920513 _cell_length_c 8.62920571 _cell_angle_alpha 120.00038949 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf18NiMo8S _chemical_formula_sum 'Hf18 Ni1 Mo8 S1' _cell_volume 547.79495050 _cell_formula_units_Z 1 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 Hf Hf0 1 0.54841282 0.80292299 0.60585188 1.0 Hf Hf1 1 0.54841195 0.80293185 0.19706815 1.0 Hf Hf2 1 0.54841282 0.39414812 0.19707701 1.0 Hf Hf3 1 0.44361099 0.20080220 0.40160803 1.0 Hf Hf4 1 0.44361328 0.20080084 0.79919916 1.0 Hf Hf5 1 0.44361099 0.59839197 0.79919780 1.0 Hf Hf6 1 0.05638901 0.20080220 0.40160803 1.0 Hf Hf7 1 0.05638672 0.20080084 0.79919916 1.0 Hf Hf8 1 0.05638901 0.59839197 0.79919780 1.0 Hf Hf9 1 0.95158718 0.80292299 0.60585188 1.0 Hf Hf10 1 0.95158805 0.80293185 0.19706815 1.0 Hf Hf11 1 0.95158718 0.39414812 0.19707701 1.0 Hf Hf12 1 0.75000000 0.45591720 0.91183704 1.0 Hf Hf13 1 0.75000000 0.45591470 0.54408530 1.0 Hf Hf14 1 0.75000000 0.08816296 0.54408280 1.0 Hf Hf15 1 0.25000000 0.54200227 0.08400528 1.0 Hf Hf16 1 0.25000000 0.54199840 0.45800160 1.0 Hf Hf17 1 0.25000000 0.91599472 0.45799773 1.0 Ni Ni18 1 0.25000000 0.33332709 0.66667291 1.0 Mo Mo19 1 0.75000000 0.11064840 0.22129119 1.0 Mo Mo20 1 0.75000000 0.11064682 0.88935318 1.0 Mo Mo21 1 0.75000000 0.77870881 0.88935160 1.0 Mo Mo22 1 0.25000000 0.88860911 0.77722219 1.0 Mo Mo23 1 0.25000000 0.88861087 0.11138913 1.0 Mo Mo24 1 0.25000000 0.22277781 0.11139089 1.0 Mo Mo25 1 0.49873125 0.00000066 0.99999934 1.0 Mo Mo26 1 0.00126875 0.00000066 0.99999934 1.0 S S27 1 0.75000000 0.66668061 0.33331939 1.0