# generated using pymatgen data_HfCrCuS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.64996000 _cell_length_b 7.31648100 _cell_length_c 11.51201000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCrCuS4 _chemical_formula_sum 'Hf4 Cr4 Cu4 S16' _cell_volume 560.10885711 _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 0.70137200 0.00000000 0.31102800 1.0 Hf Hf1 1 0.29862800 0.50000000 0.81102800 1.0 Hf Hf2 1 0.82837700 0.00000000 0.01318500 1.0 Hf Hf3 1 0.17162300 0.50000000 0.51318500 1.0 Cr Cr4 1 0.80285900 0.50000000 0.72693900 1.0 Cr Cr5 1 0.19714100 0.00000000 0.22693900 1.0 Cr Cr6 1 0.65286300 0.50000000 0.97182000 1.0 Cr Cr7 1 0.34713700 0.00000000 0.47182000 1.0 Cu Cu8 1 0.96634200 0.00000000 0.62640800 1.0 Cu Cu9 1 0.56450100 0.50000000 0.40462500 1.0 Cu Cu10 1 0.03365800 0.50000000 0.12640800 1.0 Cu Cu11 1 0.43549900 0.00000000 0.90462500 1.0 S S12 1 0.93695400 0.21276500 0.16709100 1.0 S S13 1 0.59259100 0.26897400 0.83638800 1.0 S S14 1 0.06304600 0.28723500 0.66709100 1.0 S S15 1 0.40740900 0.23102600 0.33638800 1.0 S S16 1 0.40740900 0.76897400 0.33638800 1.0 S S17 1 0.06304600 0.71276500 0.66709100 1.0 S S18 1 0.59259100 0.73102600 0.83638800 1.0 S S19 1 0.93695400 0.78723500 0.16709100 1.0 S S20 1 0.65016800 0.00000000 0.54063500 1.0 S S21 1 0.89875000 0.50000000 0.38664100 1.0 S S22 1 0.34983200 0.50000000 0.04063500 1.0 S S23 1 0.10125000 0.00000000 0.88664100 1.0 S S24 1 0.97469600 0.50000000 0.90799100 1.0 S S25 1 0.48602400 0.00000000 0.10377300 1.0 S S26 1 0.02530400 0.00000000 0.40799100 1.0 S S27 1 0.51397600 0.50000000 0.60377300 1.0