# generated using pymatgen data_HfCrCuS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.45809458 _cell_length_b 7.43240242 _cell_length_c 12.59044320 _cell_angle_alpha 81.22319873 _cell_angle_beta 84.96233387 _cell_angle_gamma 89.97578548 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCrCuS4 _chemical_formula_sum 'Hf4 Cr4 Cu4 S16' _cell_volume 594.89534215 _cell_formula_units_Z 4 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 0.86294300 0.29849700 0.30190700 1.0 Hf Hf1 1 0.23980100 0.86901500 0.99966100 1.0 Hf Hf2 1 0.75976900 0.12124300 0.99951800 1.0 Hf Hf3 1 0.62920200 0.44612100 0.69987900 1.0 Cr Cr4 1 0.14951000 0.70414700 0.70552600 1.0 Cr Cr5 1 0.36407800 0.55880300 0.29343400 1.0 Cr Cr6 1 0.36464800 0.04225600 0.29796700 1.0 Cr Cr7 1 0.62026200 0.94729300 0.70120600 1.0 Cu Cu8 1 0.13368300 0.19801600 0.70138300 1.0 Cu Cu9 1 0.87579300 0.80073100 0.29937700 1.0 Cu Cu10 1 0.24958600 0.38250100 0.99695000 1.0 Cu Cu11 1 0.75096400 0.63671900 0.00322700 1.0 S S12 1 0.09762400 0.64810400 0.88715300 1.0 S S13 1 0.89917500 0.35495100 0.10819200 1.0 S S14 1 0.10349300 0.15090200 0.88938100 1.0 S S15 1 0.89859400 0.84785500 0.11261100 1.0 S S16 1 0.19394800 0.78193500 0.36113600 1.0 S S17 1 0.81569900 0.20496400 0.62749800 1.0 S S18 1 0.20567100 0.28386000 0.37037300 1.0 S S19 1 0.82727700 0.72657000 0.63287400 1.0 S S20 1 0.30957800 0.96416000 0.63653600 1.0 S S21 1 0.67960000 0.01923900 0.37108300 1.0 S S22 1 0.29418900 0.46805600 0.62878000 1.0 S S23 1 0.67791000 0.54645200 0.36808200 1.0 S S24 1 0.39950900 0.09451800 0.11226200 1.0 S S25 1 0.59829200 0.90378300 0.88798800 1.0 S S26 1 0.40189400 0.59444600 0.11199900 1.0 S S27 1 0.59731000 0.40486300 0.89401700 1.0