# generated using pymatgen data_Hf9Mo4S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.68352950 _cell_length_b 8.68352950 _cell_length_c 8.53005200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999621 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf9Mo4S _chemical_formula_sum 'Hf18 Mo8 S2' _cell_volume 557.02526672 _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 Hf Hf0 1 0.19718300 0.80281700 0.44937000 1.0 Hf Hf1 1 0.19718300 0.39436600 0.44937000 1.0 Hf Hf2 1 0.60563400 0.80281700 0.44937000 1.0 Hf Hf3 1 0.80281700 0.19718300 0.55063000 1.0 Hf Hf4 1 0.80281700 0.60563400 0.55063000 1.0 Hf Hf5 1 0.39436600 0.19718300 0.55063000 1.0 Hf Hf6 1 0.80281700 0.19718300 0.94937000 1.0 Hf Hf7 1 0.80281700 0.60563400 0.94937000 1.0 Hf Hf8 1 0.39436600 0.19718300 0.94937000 1.0 Hf Hf9 1 0.19718300 0.80281700 0.05063000 1.0 Hf Hf10 1 0.19718300 0.39436600 0.05063000 1.0 Hf Hf11 1 0.60563400 0.80281700 0.05063000 1.0 Hf Hf12 1 0.54244200 0.45755800 0.25000000 1.0 Hf Hf13 1 0.54244200 0.08488400 0.25000000 1.0 Hf Hf14 1 0.91511600 0.45755800 0.25000000 1.0 Hf Hf15 1 0.45755800 0.54244200 0.75000000 1.0 Hf Hf16 1 0.45755800 0.91511600 0.75000000 1.0 Hf Hf17 1 0.08488400 0.54244200 0.75000000 1.0 Mo Mo18 1 0.88912900 0.11087100 0.25000000 1.0 Mo Mo19 1 0.88912900 0.77825700 0.25000000 1.0 Mo Mo20 1 0.22174300 0.11087100 0.25000000 1.0 Mo Mo21 1 0.11087100 0.88912900 0.75000000 1.0 Mo Mo22 1 0.11087100 0.22174300 0.75000000 1.0 Mo Mo23 1 0.77825700 0.88912900 0.75000000 1.0 Mo Mo24 1 0.00000000 0.00000000 0.50000000 1.0 Mo Mo25 1 0.00000000 0.00000000 0.00000000 1.0 S S26 1 0.33333300 0.66666700 0.25000000 1.0 S S27 1 0.66666700 0.33333300 0.75000000 1.0