# generated using pymatgen data_TaCr3(CuS4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.96839800 _cell_length_b 6.85567400 _cell_length_c 13.95910999 _cell_angle_alpha 61.42009716 _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 501.57372591 _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 0.50000000 0.50000000 0.00000000 1.0 Ta Ta1 1 0.50000000 0.50000000 0.50000000 1.0 Cr Cr2 1 0.99608000 0.75300900 0.99575600 1.0 Cr Cr3 1 0.99608000 0.24699100 0.50424400 1.0 Cr Cr4 1 0.00392000 0.24699100 0.00424400 1.0 Cr Cr5 1 0.00392000 0.75300900 0.49575600 1.0 Cr Cr6 1 0.50000000 0.00000000 0.00000000 1.0 Cr Cr7 1 0.50000000 0.00000000 0.50000000 1.0 Cu Cu8 1 0.35251000 0.00000000 0.75000000 1.0 Cu Cu9 1 0.64749000 0.00000000 0.25000000 1.0 Cu Cu10 1 0.02942600 0.50000000 0.25000000 1.0 Cu Cu11 1 0.97057400 0.50000000 0.75000000 1.0 S S12 1 0.84007700 0.38655700 0.11625400 1.0 S S13 1 0.84007700 0.61344300 0.38374600 1.0 S S14 1 0.16982100 0.10474000 0.88848100 1.0 S S15 1 0.16982100 0.89526000 0.61151900 1.0 S S16 1 0.15992300 0.61344300 0.88374600 1.0 S S17 1 0.15992300 0.38655700 0.61625400 1.0 S S18 1 0.83017900 0.89526000 0.11151900 1.0 S S19 1 0.83017900 0.10474000 0.38848100 1.0 S S20 1 0.66043100 0.86892100 0.88572900 1.0 S S21 1 0.66043100 0.13107900 0.61427100 1.0 S S22 1 0.33956900 0.13107900 0.11427100 1.0 S S23 1 0.33956900 0.86892100 0.38572900 1.0 S S24 1 0.32284200 0.64519500 0.11124500 1.0 S S25 1 0.32284200 0.35480500 0.38875500 1.0 S S26 1 0.67715800 0.35480500 0.88875500 1.0 S S27 1 0.67715800 0.64519500 0.61124500 1.0