# generated using pymatgen data_Hf8Mo5S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.42143752 _cell_length_b 8.42143752 _cell_length_c 8.46535200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 114.49606376 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf8Mo5S _chemical_formula_sum 'Hf16 Mo10 S2' _cell_volume 546.32866419 _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 0.18293300 0.39168400 0.19048200 1.0 Hf Hf1 1 0.60831600 0.81706700 0.19048200 1.0 Hf Hf2 1 0.20396200 0.79603800 0.18953900 1.0 Hf Hf3 1 0.81490600 0.60652100 0.29655000 1.0 Hf Hf4 1 0.39347900 0.18509400 0.29655000 1.0 Hf Hf5 1 0.79220600 0.20779400 0.30069500 1.0 Hf Hf6 1 0.81490600 0.60652100 0.70345000 1.0 Hf Hf7 1 0.39347900 0.18509400 0.70345000 1.0 Hf Hf8 1 0.79220600 0.20779400 0.69930500 1.0 Hf Hf9 1 0.18293300 0.39168400 0.80951800 1.0 Hf Hf10 1 0.60831600 0.81706700 0.80951800 1.0 Hf Hf11 1 0.20396200 0.79603800 0.81046100 1.0 Hf Hf12 1 0.56245500 0.43754500 0.00000000 1.0 Hf Hf13 1 0.45483800 0.90738700 0.50000000 1.0 Hf Hf14 1 0.09261300 0.54516200 0.50000000 1.0 Hf Hf15 1 0.45812200 0.54187800 0.50000000 1.0 Mo Mo16 1 0.99858100 0.00141900 0.24796000 1.0 Mo Mo17 1 0.99858100 0.00141900 0.75204000 1.0 Mo Mo18 1 0.89589700 0.78109800 0.00000000 1.0 Mo Mo19 1 0.21890200 0.10410300 0.00000000 1.0 Mo Mo20 1 0.87954500 0.12045500 0.00000000 1.0 Mo Mo21 1 0.10616400 0.22160000 0.50000000 1.0 Mo Mo22 1 0.77840000 0.89383600 0.50000000 1.0 Mo Mo23 1 0.11112100 0.88887900 0.50000000 1.0 Mo Mo24 1 0.55045600 0.10271500 0.00000000 1.0 Mo Mo25 1 0.89728500 0.44954400 0.00000000 1.0 S S26 1 0.35978300 0.64021700 0.00000000 1.0 S S27 1 0.64634400 0.35365600 0.50000000 1.0