# generated using pymatgen data_HfCr3(CuS4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.02359166 _cell_length_b 7.10348126 _cell_length_c 9.97457008 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfCr3(CuS4)2 _chemical_formula_sum 'Hf2 Cr6 Cu4 S16' _cell_volume 497.65076876 _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 0.50000000 0.74973440 0.25000000 1.0 Hf Hf1 1 0.50000000 0.25026560 0.75000000 1.0 Cr Cr2 1 0.00000000 0.74975633 0.25000000 1.0 Cr Cr3 1 0.74634471 0.50000000 0.50000000 1.0 Cr Cr4 1 0.25365529 0.50000000 0.00000000 1.0 Cr Cr5 1 0.74641348 0.00000000 0.50000000 1.0 Cr Cr6 1 0.00000000 0.25024367 0.75000000 1.0 Cr Cr7 1 0.25358652 0.00000000 0.00000000 1.0 Cu Cu8 1 0.76393266 0.75044712 0.87591447 1.0 Cu Cu9 1 0.23606734 0.24955288 0.37591447 1.0 Cu Cu10 1 0.76393266 0.24955288 0.12408553 1.0 Cu Cu11 1 0.23606734 0.75044712 0.62408553 1.0 S S12 1 0.97727358 0.74996400 0.48990682 1.0 S S13 1 0.76094108 0.50710073 0.25834360 1.0 S S14 1 0.51051867 0.75004793 0.50267656 1.0 S S15 1 0.23905892 0.49289927 0.75834360 1.0 S S16 1 0.51051867 0.24995207 0.49732344 1.0 S S17 1 0.76098427 0.00760524 0.74164857 1.0 S S18 1 0.97727358 0.25003600 0.51009318 1.0 S S19 1 0.76094108 0.49289927 0.74165640 1.0 S S20 1 0.48948133 0.24995207 0.00267656 1.0 S S21 1 0.23901573 0.00760524 0.75835143 1.0 S S22 1 0.02272642 0.25003600 0.98990682 1.0 S S23 1 0.76098427 0.99239476 0.25835143 1.0 S S24 1 0.02272642 0.74996400 0.01009318 1.0 S S25 1 0.23905892 0.50710073 0.24165640 1.0 S S26 1 0.48948133 0.75004793 0.99732344 1.0 S S27 1 0.23901573 0.99239476 0.24164857 1.0