# generated using pymatgen data_TaCr3(CuS4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.96042800 _cell_length_b 7.11177100 _cell_length_c 9.97344500 _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 493.69520172 _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 0.00000000 0.48587100 0.50000000 1.0 Ta Ta1 1 0.50000000 0.51412900 0.50000000 1.0 Cr Cr2 1 0.25311000 0.75038500 0.25047400 1.0 Cr Cr3 1 0.74689000 0.75038500 0.74952600 1.0 Cr Cr4 1 0.24689000 0.24961500 0.25047400 1.0 Cr Cr5 1 0.75311000 0.24961500 0.74952600 1.0 Cr Cr6 1 0.00000000 0.99780700 0.00000000 1.0 Cr Cr7 1 0.50000000 0.00219300 0.00000000 1.0 Cu Cu8 1 0.75000000 0.00000000 0.36145300 1.0 Cu Cu9 1 0.75000000 0.50000000 0.11142000 1.0 Cu Cu10 1 0.25000000 0.00000000 0.63854700 1.0 Cu Cu11 1 0.25000000 0.50000000 0.88858000 1.0 S S12 1 0.74822400 0.76799500 0.98776400 1.0 S S13 1 0.24615800 0.74780600 0.49629800 1.0 S S14 1 0.74615800 0.25219400 0.50370200 1.0 S S15 1 0.24822400 0.23200500 0.01223600 1.0 S S16 1 0.02074300 0.99741700 0.23929900 1.0 S S17 1 0.98929600 0.50324800 0.74591300 1.0 S S18 1 0.52074300 0.00258300 0.76070100 1.0 S S19 1 0.48929600 0.49675200 0.25408700 1.0 S S20 1 0.25384200 0.25219400 0.49629800 1.0 S S21 1 0.75177600 0.23200500 0.98776400 1.0 S S22 1 0.25177600 0.76799500 0.01223600 1.0 S S23 1 0.75384200 0.74780600 0.50370200 1.0 S S24 1 0.51070400 0.49675200 0.74591300 1.0 S S25 1 0.47925700 0.00258300 0.23929900 1.0 S S26 1 0.01070400 0.50324800 0.25408700 1.0 S S27 1 0.97925700 0.99741700 0.76070100 1.0