# generated using pymatgen data_TaCr3(CuS4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.40007000 _cell_length_b 11.08112500 _cell_length_c 12.59772000 _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 474.63926590 _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 0.91493300 0.33536700 1.0 Ta Ta1 1 0.50000000 0.41493300 0.66463300 1.0 Cr Cr2 1 0.50000000 0.94371500 0.87429400 1.0 Cr Cr3 1 0.00000000 0.06001100 0.64278600 1.0 Cr Cr4 1 0.00000000 0.56001100 0.35721400 1.0 Cr Cr5 1 0.50000000 0.44371500 0.12570600 1.0 Cr Cr6 1 0.00000000 0.08578700 0.16620600 1.0 Cr Cr7 1 0.00000000 0.58578700 0.83379400 1.0 Cu Cu8 1 0.50000000 0.71523500 0.05455000 1.0 Cu Cu9 1 0.00000000 0.29181100 0.39158900 1.0 Cu Cu10 1 0.00000000 0.79181100 0.60841100 1.0 Cu Cu11 1 0.50000000 0.21523500 0.94545000 1.0 S S12 1 0.00000000 0.94452800 0.47222000 1.0 S S13 1 0.50000000 0.04471500 0.04507100 1.0 S S14 1 0.50000000 0.54471500 0.95492900 1.0 S S15 1 0.00000000 0.44452800 0.52778000 1.0 S S16 1 0.50000000 0.91292800 0.68948100 1.0 S S17 1 0.00000000 0.09223800 0.82804700 1.0 S S18 1 0.00000000 0.59223800 0.17195300 1.0 S S19 1 0.50000000 0.41292700 0.31051900 1.0 S S20 1 0.00000000 0.87160500 0.19951300 1.0 S S21 1 0.50000000 0.12888900 0.30058400 1.0 S S22 1 0.50000000 0.62888900 0.69941600 1.0 S S23 1 0.00000000 0.37160500 0.80048700 1.0 S S24 1 0.00000000 0.79630500 0.91459600 1.0 S S25 1 0.50000000 0.19730100 0.59559900 1.0 S S26 1 0.50000000 0.69730100 0.40440100 1.0 S S27 1 0.00000000 0.29630500 0.08540400 1.0