# generated using pymatgen data_Hf18Mo8IrS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.67228649 _cell_length_b 8.67228523 _cell_length_c 8.51702435 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999724 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf18Mo8IrS _chemical_formula_sum 'Hf18 Mo8 Ir1 S1' _cell_volume 554.73517154 _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 0.19809712 0.80190288 0.44680398 1.0 Hf Hf1 1 0.19809712 0.39619525 0.44680398 1.0 Hf Hf2 1 0.60380475 0.80190288 0.44680398 1.0 Hf Hf3 1 0.80298264 0.19701736 0.54947346 1.0 Hf Hf4 1 0.80298264 0.60596527 0.54947346 1.0 Hf Hf5 1 0.39403473 0.19701736 0.54947346 1.0 Hf Hf6 1 0.80298264 0.19701736 0.95052654 1.0 Hf Hf7 1 0.80298264 0.60596527 0.95052654 1.0 Hf Hf8 1 0.39403473 0.19701736 0.95052654 1.0 Hf Hf9 1 0.19809712 0.80190288 0.05319602 1.0 Hf Hf10 1 0.19809712 0.39619525 0.05319602 1.0 Hf Hf11 1 0.60380475 0.80190288 0.05319602 1.0 Hf Hf12 1 0.54212097 0.45787903 0.25000000 1.0 Hf Hf13 1 0.54212097 0.08424193 0.25000000 1.0 Hf Hf14 1 0.91575807 0.45787903 0.25000000 1.0 Hf Hf15 1 0.45541500 0.54458500 0.75000000 1.0 Hf Hf16 1 0.45541500 0.91083001 0.75000000 1.0 Hf Hf17 1 0.08916999 0.54458500 0.75000000 1.0 Mo Mo18 1 0.88833627 0.11166373 0.25000000 1.0 Mo Mo19 1 0.88833627 0.77667055 0.25000000 1.0 Mo Mo20 1 0.22332945 0.11166373 0.25000000 1.0 Mo Mo21 1 0.11010671 0.88989329 0.75000000 1.0 Mo Mo22 1 0.11010671 0.22021342 0.75000000 1.0 Mo Mo23 1 0.77978658 0.88989329 0.75000000 1.0 Mo Mo24 1 0.00000000 0.00000000 0.49866979 1.0 Mo Mo25 1 0.00000000 0.00000000 0.00133021 1.0 Ir Ir26 1 0.33333300 0.66666700 0.25000000 1.0 S S27 1 0.66666700 0.33333300 0.75000000 1.0