# generated using pymatgen data_TaCr3(CuS4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.84587500 _cell_length_b 7.68808700 _cell_length_c 12.07071600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaCr3(CuS4)2 _chemical_formula_sum 'Ta2 Cr6 Cu4 S16' _cell_volume 542.50137840 _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 Ta Ta0 1 0.77500500 0.00000000 0.27015800 1.0 Ta Ta1 1 0.22499500 0.50000000 0.77015800 1.0 Cr Cr2 1 0.73407800 0.50000000 0.73312400 1.0 Cr Cr3 1 0.26592200 0.00000000 0.23312400 1.0 Cr Cr4 1 0.87312400 0.00000000 0.04142900 1.0 Cr Cr5 1 0.56872000 0.50000000 0.93675000 1.0 Cr Cr6 1 0.12687600 0.50000000 0.54142900 1.0 Cr Cr7 1 0.43128000 0.00000000 0.43675000 1.0 Cu Cu8 1 0.89318800 0.00000000 0.69730100 1.0 Cu Cu9 1 0.59918200 0.50000000 0.39718000 1.0 Cu Cu10 1 0.10681200 0.50000000 0.19730100 1.0 Cu Cu11 1 0.40081800 0.00000000 0.89718000 1.0 S S12 1 0.00876300 0.20720100 0.15563600 1.0 S S13 1 0.49694000 0.27515700 0.82506600 1.0 S S14 1 0.99123700 0.29279900 0.65563600 1.0 S S15 1 0.50306000 0.22484300 0.32506600 1.0 S S16 1 0.50306000 0.77515700 0.32506600 1.0 S S17 1 0.99123700 0.70720100 0.65563600 1.0 S S18 1 0.49694000 0.72484300 0.82506600 1.0 S S19 1 0.00876300 0.79279900 0.15563600 1.0 S S20 1 0.55870800 0.00000000 0.59734200 1.0 S S21 1 0.98179500 0.50000000 0.37683600 1.0 S S22 1 0.44129200 0.50000000 0.09734200 1.0 S S23 1 0.01820500 0.00000000 0.87683600 1.0 S S24 1 0.94492300 0.50000000 0.90818500 1.0 S S25 1 0.50954700 0.00000000 0.08029200 1.0 S S26 1 0.05507700 0.00000000 0.40818500 1.0 S S27 1 0.49045300 0.50000000 0.58029200 1.0