# generated using pymatgen data_ZrCrCuS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.23336678 _cell_length_b 7.23336678 _cell_length_c 7.23336678 _cell_angle_alpha 120.05784067 _cell_angle_beta 119.85165143 _cell_angle_gamma 90.07849265 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrCrCuS4 _chemical_formula_sum 'Zr2 Cr2 Cu2 S8' _cell_volume 267.79423824 _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 Zr Zr0 1 0.98884900 0.22976400 0.74091500 1.0 Zr Zr1 1 0.01115100 0.75206500 0.24091500 1.0 Cr Cr2 1 0.50000000 0.74976600 0.24976600 1.0 Cr Cr3 1 0.00000000 0.74976600 0.74976600 1.0 Cu Cu4 1 0.37521700 0.38819800 0.51298100 1.0 Cu Cu5 1 0.62478300 0.13776400 0.01298100 1.0 S S6 1 0.24073000 0.97925300 0.74245200 1.0 S S7 1 0.73680200 0.97925300 0.23852300 1.0 S S8 1 0.75329500 0.52634300 0.27304800 1.0 S S9 1 0.74292600 0.97698900 0.73406300 1.0 S S10 1 0.75927000 0.50172200 0.73852300 1.0 S S11 1 0.24670500 0.51975300 0.77304800 1.0 S S12 1 0.25707400 0.99113600 0.23406300 1.0 S S13 1 0.26319800 0.50172200 0.24245200 1.0