# generated using pymatgen data_TaCr3(CuS4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.40197700 _cell_length_b 6.98307700 _cell_length_c 12.00725300 _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 'Ta4 Cr12 Cu8 S32' _cell_volume 956.02809039 _cell_formula_units_Z 4 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 0.09662100 0.89048000 0.68485300 1.0 Ta Ta1 1 0.90337900 0.10952000 0.18485300 1.0 Ta Ta2 1 0.40337900 0.89048000 0.18485300 1.0 Ta Ta3 1 0.59662100 0.10952000 0.68485300 1.0 Cr Cr4 1 0.12516400 0.37039400 0.33204300 1.0 Cr Cr5 1 0.87483600 0.62960600 0.83204300 1.0 Cr Cr6 1 0.37483600 0.37039400 0.83204300 1.0 Cr Cr7 1 0.62516400 0.62960600 0.33204300 1.0 Cr Cr8 1 0.15374800 0.61848200 0.95180900 1.0 Cr Cr9 1 0.84625200 0.38151800 0.45180900 1.0 Cr Cr10 1 0.34625200 0.61848200 0.45180900 1.0 Cr Cr11 1 0.65374800 0.38151800 0.95180900 1.0 Cr Cr12 1 0.13449100 0.14196200 0.97608500 1.0 Cr Cr13 1 0.86550900 0.85803800 0.47608500 1.0 Cr Cr14 1 0.36550900 0.14196200 0.47608500 1.0 Cr Cr15 1 0.63449100 0.85803800 0.97608500 1.0 Cu Cu16 1 0.11430200 0.37824200 0.68171500 1.0 Cu Cu17 1 0.88569800 0.62175800 0.18171500 1.0 Cu Cu18 1 0.38569800 0.37824200 0.18171500 1.0 Cu Cu19 1 0.61430200 0.62175800 0.68171500 1.0 Cu Cu20 1 0.12023900 0.88440700 0.32059000 1.0 Cu Cu21 1 0.87976100 0.11559300 0.82059000 1.0 Cu Cu22 1 0.37976100 0.88440700 0.82059000 1.0 Cu Cu23 1 0.62023900 0.11559300 0.32059000 1.0 S S24 1 0.02167900 0.85980500 0.88389300 1.0 S S25 1 0.97832100 0.14019500 0.38389300 1.0 S S26 1 0.47832100 0.85980500 0.38389300 1.0 S S27 1 0.52167900 0.14019500 0.88389300 1.0 S S28 1 0.03238400 0.36860100 0.14440000 1.0 S S29 1 0.96761600 0.63139900 0.64440000 1.0 S S30 1 0.46761600 0.36860100 0.64440000 1.0 S S31 1 0.53238400 0.63139900 0.14440000 1.0 S S32 1 0.02306800 0.38864600 0.86984500 1.0 S S33 1 0.97693200 0.61135400 0.36984500 1.0 S S34 1 0.47693200 0.38864600 0.36984500 1.0 S S35 1 0.52306800 0.61135400 0.86984500 1.0 S S36 1 0.03163900 0.87094400 0.14150900 1.0 S S37 1 0.96836100 0.12905600 0.64150900 1.0 S S38 1 0.46836100 0.87094400 0.64150900 1.0 S S39 1 0.53163900 0.12905600 0.14150900 1.0 S S40 1 0.22029500 0.87819300 0.52395900 1.0 S S41 1 0.77970500 0.12180700 0.02395900 1.0 S S42 1 0.27970500 0.87819300 0.02395900 1.0 S S43 1 0.72029500 0.12180700 0.52395900 1.0 S S44 1 0.21834300 0.37477200 0.51158400 1.0 S S45 1 0.78165600 0.62522800 0.01158400 1.0 S S46 1 0.28165600 0.37477200 0.01158400 1.0 S S47 1 0.71834400 0.62522800 0.51158400 1.0 S S48 1 0.22931900 0.12213600 0.79430900 1.0 S S49 1 0.77068100 0.87786400 0.29430900 1.0 S S50 1 0.27068100 0.12213600 0.29430900 1.0 S S51 1 0.72931900 0.87786400 0.79430900 1.0 S S52 1 0.24560300 0.62798400 0.78040800 1.0 S S53 1 0.75439700 0.37201600 0.28040800 1.0 S S54 1 0.25439700 0.62798400 0.28040800 1.0 S S55 1 0.74560300 0.37201600 0.78040800 1.0