# generated using pymatgen data_Hf18CoMo8S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.62545314 _cell_length_b 8.62545307 _cell_length_c 8.48649561 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999648 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf18CoMo8S _chemical_formula_sum 'Hf18 Co1 Mo8 S1' _cell_volume 546.79290991 _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 0.20231114 0.79768886 0.44184514 1.0 Hf Hf1 1 0.20231114 0.40462328 0.44184514 1.0 Hf Hf2 1 0.59537672 0.79768886 0.44184514 1.0 Hf Hf3 1 0.80319202 0.19680798 0.54923610 1.0 Hf Hf4 1 0.80319202 0.60638204 0.54923610 1.0 Hf Hf5 1 0.39361796 0.19680798 0.54923610 1.0 Hf Hf6 1 0.80319202 0.19680798 0.95076390 1.0 Hf Hf7 1 0.80319202 0.60638204 0.95076390 1.0 Hf Hf8 1 0.39361796 0.19680798 0.95076390 1.0 Hf Hf9 1 0.20231114 0.79768886 0.05815486 1.0 Hf Hf10 1 0.20231114 0.40462328 0.05815486 1.0 Hf Hf11 1 0.59537672 0.79768886 0.05815486 1.0 Hf Hf12 1 0.54158698 0.45841302 0.25000000 1.0 Hf Hf13 1 0.54158698 0.08317396 0.25000000 1.0 Hf Hf14 1 0.91682604 0.45841302 0.25000000 1.0 Hf Hf15 1 0.45521721 0.54478279 0.75000000 1.0 Hf Hf16 1 0.45521721 0.91043443 0.75000000 1.0 Hf Hf17 1 0.08956557 0.54478279 0.75000000 1.0 Co Co18 1 0.33333300 0.66666700 0.25000000 1.0 Mo Mo19 1 0.88857021 0.11142979 0.25000000 1.0 Mo Mo20 1 0.88857021 0.77713841 0.25000000 1.0 Mo Mo21 1 0.22286159 0.11142979 0.25000000 1.0 Mo Mo22 1 0.11056881 0.88943119 0.75000000 1.0 Mo Mo23 1 0.11056881 0.22113763 0.75000000 1.0 Mo Mo24 1 0.77886237 0.88943119 0.75000000 1.0 Mo Mo25 1 0.00000000 0.00000000 0.49847844 1.0 Mo Mo26 1 0.00000000 0.00000000 0.00152156 1.0 S S27 1 0.66666700 0.33333300 0.75000000 1.0