# generated using pymatgen data_Ta6Cr3Cu3C2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.13145533 _cell_length_b 8.13145533 _cell_length_c 8.13145533 _cell_angle_alpha 120.47331864 _cell_angle_beta 119.62437879 _cell_angle_gamma 89.91698698 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta6Cr3Cu3C2 _chemical_formula_sum 'Ta12 Cr6 Cu6 C4' _cell_volume 379.87325756 _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 0.56932300 0.06932300 0.50000000 1.0 Ta Ta1 1 0.18329400 0.68329400 0.50000000 1.0 Ta Ta2 1 0.17969700 0.06932200 0.50108300 1.0 Ta Ta3 1 0.56824000 0.67861500 0.49891700 1.0 Ta Ta4 1 0.56824000 0.06932200 0.88962500 1.0 Ta Ta5 1 0.17969700 0.67861500 0.11037500 1.0 Ta Ta6 1 0.93209300 0.93209300 0.00000000 1.0 Ta Ta7 1 0.31677500 0.31677500 0.00000000 1.0 Ta Ta8 1 0.31746700 0.93595000 0.00256900 1.0 Ta Ta9 1 0.93338000 0.31489800 0.99743100 1.0 Ta Ta10 1 0.93338000 0.93595000 0.61848200 1.0 Ta Ta11 1 0.31746700 0.31489800 0.38151800 1.0 Cr Cr12 1 0.74145600 0.49467600 0.24678000 1.0 Cr Cr13 1 0.24789600 0.49467600 0.75322000 1.0 Cr Cr14 1 0.74949900 0.48281800 0.73331900 1.0 Cr Cr15 1 0.74949900 0.01618000 0.26668100 1.0 Cr Cr16 1 0.95388700 0.30104300 0.65284400 1.0 Cr Cr17 1 0.64820000 0.30104300 0.34715600 1.0 Cu Cu18 1 0.95893900 0.29565500 0.33671600 1.0 Cu Cu19 1 0.95893900 0.62222300 0.66328400 1.0 Cu Cu20 1 0.54383000 0.70624900 0.83758100 1.0 Cu Cu21 1 0.86866800 0.70624900 0.16241900 1.0 Cu Cu22 1 0.54334200 0.70634500 0.16300300 1.0 Cu Cu23 1 0.54334200 0.38033900 0.83699700 1.0 C C24 1 0.24707300 0.99755100 0.24952200 1.0 C C25 1 0.74803000 0.99755100 0.75047800 1.0 C C26 1 0.24917300 0.99873900 0.74956600 1.0 C C27 1 0.24917300 0.49960800 0.25043400 1.0