# generated using pymatgen data_TaCr3(CuS4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.27154524 _cell_length_b 7.24999792 _cell_length_c 12.37976595 _cell_angle_alpha 81.84565438 _cell_angle_beta 85.03941007 _cell_angle_gamma 90.00209034 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaCr3(CuS4)2 _chemical_formula_sum 'Ta2 Cr6 Cu4 S16' _cell_volume 555.07042737 _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 0.85963800 0.29900500 0.29634700 1.0 Ta Ta1 1 0.21698500 0.88705200 0.99820500 1.0 Cr Cr2 1 0.14789800 0.69887900 0.70418500 1.0 Cr Cr3 1 0.75651600 0.11802100 0.99534400 1.0 Cr Cr4 1 0.36272100 0.55835200 0.28960100 1.0 Cr Cr5 1 0.62924000 0.44823500 0.71076200 1.0 Cr Cr6 1 0.36600700 0.04347600 0.29382000 1.0 Cr Cr7 1 0.62437300 0.94762400 0.70517200 1.0 Cu Cu8 1 0.12927600 0.20101900 0.69953300 1.0 Cu Cu9 1 0.87791900 0.80166600 0.29656800 1.0 Cu Cu10 1 0.25991800 0.37638600 0.99527000 1.0 Cu Cu11 1 0.74963000 0.62687800 0.99914300 1.0 S S12 1 0.11233800 0.65257400 0.88879200 1.0 S S13 1 0.89779800 0.34385600 0.10673800 1.0 S S14 1 0.09628100 0.15411400 0.88886800 1.0 S S15 1 0.89191500 0.85165100 0.10948900 1.0 S S16 1 0.19585000 0.78100000 0.36900700 1.0 S S17 1 0.79822600 0.21667900 0.63839200 1.0 S S18 1 0.18846300 0.28505900 0.37172100 1.0 S S19 1 0.81807600 0.71379500 0.63826600 1.0 S S20 1 0.31191400 0.96534000 0.62973300 1.0 S S21 1 0.69028100 0.02700400 0.37419600 1.0 S S22 1 0.31761800 0.46561400 0.63498300 1.0 S S23 1 0.68467700 0.53952200 0.36838700 1.0 S S24 1 0.41371700 0.09438500 0.10487300 1.0 S S25 1 0.59756000 0.90277100 0.89329100 1.0 S S26 1 0.39492900 0.60722800 0.10517800 1.0 S S27 1 0.61023600 0.39281700 0.89413500 1.0