# generated using pymatgen data_TaCr3(CuS4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.38373280 _cell_length_b 7.25477624 _cell_length_c 12.25522677 _cell_angle_alpha 82.73828886 _cell_angle_beta 85.41961296 _cell_angle_gamma 90.70291805 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaCr3(CuS4)2 _chemical_formula_sum 'Ta2 Cr6 Cu4 S16' _cell_volume 561.07676859 _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 0.14277900 0.70341500 0.69934100 1.0 Ta Ta1 1 0.85722100 0.29658500 0.30065900 1.0 Cr Cr2 1 0.24446100 0.88137200 0.00048400 1.0 Cr Cr3 1 0.75553900 0.11862800 0.99951600 1.0 Cr Cr4 1 0.36584400 0.56089000 0.28733300 1.0 Cr Cr5 1 0.63415600 0.43911000 0.71266700 1.0 Cr Cr6 1 0.36683500 0.04525100 0.29226600 1.0 Cr Cr7 1 0.63316500 0.95474900 0.70773400 1.0 Cu Cu8 1 0.11915400 0.19697100 0.71395100 1.0 Cu Cu9 1 0.88084600 0.80302900 0.28604900 1.0 Cu Cu10 1 0.26255100 0.36886300 0.99717600 1.0 Cu Cu11 1 0.73744900 0.63113700 0.00282400 1.0 S S12 1 0.10797100 0.65413400 0.88888100 1.0 S S13 1 0.89202900 0.34586600 0.11111900 1.0 S S14 1 0.09858000 0.14811000 0.90236900 1.0 S S15 1 0.90142000 0.85189000 0.09763100 1.0 S S16 1 0.19089700 0.78208400 0.36398100 1.0 S S17 1 0.80910300 0.21791600 0.63601900 1.0 S S18 1 0.19272600 0.28685900 0.36828800 1.0 S S19 1 0.80727400 0.71314100 0.63171200 1.0 S S20 1 0.31387100 0.97910400 0.62904300 1.0 S S21 1 0.68612900 0.02089600 0.37095700 1.0 S S22 1 0.31651100 0.45506600 0.63361600 1.0 S S23 1 0.68348900 0.54493400 0.36638400 1.0 S S24 1 0.41075700 0.09430400 0.10511400 1.0 S S25 1 0.58924300 0.90569600 0.89488600 1.0 S S26 1 0.38606200 0.60298700 0.10180100 1.0 S S27 1 0.61393800 0.39701300 0.89819900 1.0