# generated using pymatgen data_Ta14(CuS8)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.66841456 _cell_length_b 8.80076852 _cell_length_c 12.97376360 _cell_angle_alpha 92.27565029 _cell_angle_beta 98.01424200 _cell_angle_gamma 101.34467718 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta14(CuS8)3 _chemical_formula_sum 'Ta14 Cu3 S24' _cell_volume 737.45689653 _cell_formula_units_Z 1 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 0.05872635 0.02231338 0.24362760 1.0 Ta Ta1 1 0.40742791 0.36270317 0.24582652 1.0 Ta Ta2 1 0.56927207 0.02811946 0.24234000 1.0 Ta Ta3 1 0.85513760 0.35298647 0.00066872 1.0 Ta Ta4 1 0.89769976 0.36297747 0.24935246 1.0 Ta Ta5 1 0.72722840 0.70007452 0.24739766 1.0 Ta Ta6 1 0.76606798 0.30551997 0.75040868 1.0 Ta Ta7 1 0.23226526 0.69346963 0.24994031 1.0 Ta Ta8 1 0.27352368 0.30101571 0.75247166 1.0 Ta Ta9 1 0.09934638 0.63708839 0.75107614 1.0 Ta Ta10 1 0.14530826 0.64710666 0.00009117 1.0 Ta Ta11 1 0.43369721 0.97344327 0.75758648 1.0 Ta Ta12 1 0.59535358 0.63654025 0.75418367 1.0 Ta Ta13 1 0.93825656 0.97611002 0.75640323 1.0 Cu Cu14 1 0.79536407 0.71862153 0.46322172 1.0 Cu Cu15 1 0.20330368 0.28520443 0.53538823 1.0 Cu Cu16 1 0.37570594 0.94628917 0.53698522 1.0 S S17 1 0.17028164 0.06487407 0.62946821 1.0 S S18 1 0.25110974 0.09685604 0.87694523 1.0 S S19 1 0.51599204 0.40691811 0.62887915 1.0 S S20 1 0.68184853 0.07093055 0.63273625 1.0 S S21 1 0.58341787 0.42914790 0.87653760 1.0 S S22 1 0.75157698 0.10124696 0.87933927 1.0 S S23 1 0.59079308 0.24052915 0.11956077 1.0 S S24 1 0.65740158 0.26095195 0.36745578 1.0 S S25 1 0.84103950 0.73943158 0.63439731 1.0 S S26 1 0.00557489 0.40490222 0.62932386 1.0 S S27 1 0.91157611 0.76041560 0.87578894 1.0 S S28 1 0.09096128 0.42296418 0.87440368 1.0 S S29 1 0.90859802 0.57711722 0.12557378 1.0 S S30 1 0.08828644 0.24042462 0.12493881 1.0 S S31 1 0.99312327 0.59529417 0.37130625 1.0 S S32 1 0.15840513 0.26039884 0.36483282 1.0 S S33 1 0.34098316 0.73246797 0.63188037 1.0 S S34 1 0.40910120 0.75960823 0.87919574 1.0 S S35 1 0.24837273 0.89842637 0.12174155 1.0 S S36 1 0.41604266 0.57094805 0.12391663 1.0 S S37 1 0.32497419 0.93186248 0.36556489 1.0 S S38 1 0.48408082 0.59232555 0.37097365 1.0 S S39 1 0.74868286 0.90270880 0.12182927 1.0 S S40 1 0.82442661 0.93780087 0.36963972 1.0