# generated using pymatgen data_K2VCuS2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50845100 _cell_length_b 7.45159837 _cell_length_c 20.89031559 _cell_angle_alpha 87.20681709 _cell_angle_beta 82.42393869 _cell_angle_gamma 68.30809599 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2VCuS2 _chemical_formula_sum 'K8 V4 Cu4 S8' _cell_volume 789.80213895 _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 K K0 1 0.67785900 0.26978100 0.59844600 1.0 K K1 1 0.72369500 0.73021900 0.59844600 1.0 K K2 1 0.05236000 0.26978100 0.40155400 1.0 K K3 1 0.07214100 0.23021900 0.90155400 1.0 K K4 1 0.54608600 0.73021900 0.40155400 1.0 K K5 1 0.02630500 0.76978100 0.90155400 1.0 K K6 1 0.69764000 0.23021900 0.09844600 1.0 K K7 1 0.20391400 0.76978100 0.09844600 1.0 V V8 1 0.87500000 0.25000000 0.25000000 1.0 V V9 1 0.87500000 0.75000000 0.25000000 1.0 V V10 1 0.87500000 0.25000000 0.75000000 1.0 V V11 1 0.37500000 0.75000000 0.75000000 1.0 Cu Cu12 1 0.37500000 0.25000000 0.25000000 1.0 Cu Cu13 1 0.37500000 0.75000000 0.25000000 1.0 Cu Cu14 1 0.37500000 0.25000000 0.75000000 1.0 Cu Cu15 1 0.87500000 0.75000000 0.75000000 1.0 S S16 1 0.17756500 0.25096400 0.16438000 1.0 S S17 1 0.65805500 0.74903600 0.16438000 1.0 S S18 1 0.57147100 0.25096400 0.83562000 1.0 S S19 1 0.57243500 0.24903600 0.33562000 1.0 S S20 1 0.59290900 0.74903600 0.83562000 1.0 S S21 1 0.09194500 0.75096400 0.33562000 1.0 S S22 1 0.17852900 0.24903600 0.66438000 1.0 S S23 1 0.15709100 0.75096400 0.66438000 1.0