# generated using pymatgen data_TaCr3(CuS4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.41680500 _cell_length_b 11.07462800 _cell_length_c 12.56128500 _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 475.31706890 _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 0.83715900 0.57819000 1.0 Ta Ta1 1 0.50000000 0.16284100 0.07819000 1.0 Cr Cr2 1 0.50000000 0.68636800 0.88455500 1.0 Cr Cr3 1 0.00000000 0.80404600 0.11856700 1.0 Cr Cr4 1 0.00000000 0.31363200 0.38455500 1.0 Cr Cr5 1 0.50000000 0.19595400 0.61856700 1.0 Cr Cr6 1 0.50000000 0.66593700 0.41149600 1.0 Cr Cr7 1 0.00000000 0.33406300 0.91149600 1.0 Cu Cu8 1 0.50000000 0.46012700 0.67454200 1.0 Cu Cu9 1 0.00000000 0.04433500 0.34670400 1.0 Cu Cu10 1 0.00000000 0.53987300 0.17454200 1.0 Cu Cu11 1 0.50000000 0.95566500 0.84670400 1.0 S S12 1 0.00000000 0.69989100 0.28854300 1.0 S S13 1 0.50000000 0.80351900 0.71501700 1.0 S S14 1 0.50000000 0.30010900 0.78854300 1.0 S S15 1 0.00000000 0.19648100 0.21501700 1.0 S S16 1 0.50000000 0.65606100 0.07025500 1.0 S S17 1 0.00000000 0.83637200 0.93321800 1.0 S S18 1 0.00000000 0.34393900 0.57025500 1.0 S S19 1 0.50000000 0.16362800 0.43321800 1.0 S S20 1 0.00000000 0.62468900 0.54409000 1.0 S S21 1 0.50000000 0.88068000 0.44059400 1.0 S S22 1 0.50000000 0.37531100 0.04409000 1.0 S S23 1 0.00000000 0.11932000 0.94059400 1.0 S S24 1 0.00000000 0.54734900 0.83692600 1.0 S S25 1 0.50000000 0.94701000 0.15730200 1.0 S S26 1 0.50000000 0.45265100 0.33692600 1.0 S S27 1 0.00000000 0.05299000 0.65730200 1.0