# generated using pymatgen data_Hf9Re4S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.55934600 _cell_length_b 8.56044642 _cell_length_c 8.56044642 _cell_angle_alpha 120.01156478 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf9Re4S _chemical_formula_sum 'Hf18 Re8 S2' _cell_volume 543.14204007 _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 0.55220000 0.80421300 0.60839700 1.0 Hf Hf1 1 0.55218400 0.80417000 0.19583000 1.0 Hf Hf2 1 0.55220000 0.39160300 0.19578700 1.0 Hf Hf3 1 0.44780000 0.19578700 0.39160300 1.0 Hf Hf4 1 0.44781600 0.19583000 0.80417000 1.0 Hf Hf5 1 0.44780000 0.60839700 0.80421300 1.0 Hf Hf6 1 0.05220000 0.19578700 0.39160300 1.0 Hf Hf7 1 0.05218400 0.19583000 0.80417000 1.0 Hf Hf8 1 0.05220000 0.60839700 0.80421300 1.0 Hf Hf9 1 0.94780000 0.80421300 0.60839700 1.0 Hf Hf10 1 0.94781600 0.80417000 0.19583000 1.0 Hf Hf11 1 0.94780000 0.39160300 0.19578700 1.0 Hf Hf12 1 0.75000000 0.45726300 0.91450300 1.0 Hf Hf13 1 0.75000000 0.45722900 0.54277100 1.0 Hf Hf14 1 0.75000000 0.08549700 0.54273700 1.0 Hf Hf15 1 0.25000000 0.54273700 0.08549700 1.0 Hf Hf16 1 0.25000000 0.54277100 0.45722900 1.0 Hf Hf17 1 0.25000000 0.91450300 0.45726300 1.0 Re Re18 1 0.75000000 0.10984700 0.21966000 1.0 Re Re19 1 0.75000000 0.10987500 0.89012500 1.0 Re Re20 1 0.75000000 0.78034000 0.89015300 1.0 Re Re21 1 0.25000000 0.89015300 0.78034000 1.0 Re Re22 1 0.25000000 0.89012500 0.10987500 1.0 Re Re23 1 0.25000000 0.21966000 0.10984700 1.0 Re Re24 1 0.50000000 0.00000000 0.00000000 1.0 Re Re25 1 0.00000000 0.00000000 0.00000000 1.0 S S26 1 0.75000000 0.66670100 0.33329900 1.0 S S27 1 0.25000000 0.33329900 0.66670100 1.0