# generated using pymatgen data_Ta6Cr3Fe3C2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.08634411 _cell_length_b 8.08634411 _cell_length_c 8.08634411 _cell_angle_alpha 120.16130982 _cell_angle_beta 119.93501172 _cell_angle_gamma 89.91671521 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta6Cr3Fe3C2 _chemical_formula_sum 'Ta12 Cr6 Fe6 C4' _cell_volume 373.61368834 _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 0.07017800 0.57017800 0.50000000 1.0 Ta Ta1 1 0.68015200 0.18015200 0.50000000 1.0 Ta Ta2 1 0.06899300 0.17965400 0.49945800 1.0 Ta Ta3 1 0.68019700 0.56953600 0.50054200 1.0 Ta Ta4 1 0.68019700 0.17965400 0.11066100 1.0 Ta Ta5 1 0.06899300 0.56953600 0.88933900 1.0 Ta Ta6 1 0.42979600 0.42979600 0.00000000 1.0 Ta Ta7 1 0.81996600 0.81996600 0.00000000 1.0 Ta Ta8 1 0.43002400 0.81962800 0.00018000 1.0 Ta Ta9 1 0.81944800 0.42984400 0.99982000 1.0 Ta Ta10 1 0.81944800 0.81962800 0.38960300 1.0 Ta Ta11 1 0.43002400 0.42984400 0.61039700 1.0 Cr Cr12 1 0.75185200 0.00073600 0.75111600 1.0 Cr Cr13 1 0.24962000 0.00073600 0.24888400 1.0 Cr Cr14 1 0.24958600 0.49853800 0.24895200 1.0 Cr Cr15 1 0.24958600 0.00063300 0.75104800 1.0 Cr Cr16 1 0.14250100 0.79793500 0.34456600 1.0 Cr Cr17 1 0.45336900 0.79793500 0.65543400 1.0 Fe Fe18 1 0.45448300 0.11092700 0.65644400 1.0 Fe Fe19 1 0.45448300 0.79804000 0.34355600 1.0 Fe Fe20 1 0.35270300 0.20083200 0.15187200 1.0 Fe Fe21 1 0.04896000 0.20083200 0.84812800 1.0 Fe Fe22 1 0.04822400 0.89495400 0.84673000 1.0 Fe Fe23 1 0.04822400 0.20149400 0.15327000 1.0 C C24 1 0.25092000 0.49989800 0.75102200 1.0 C C25 1 0.74887600 0.49989800 0.24897800 1.0 C C26 1 0.74959900 0.00008200 0.25048300 1.0 C C27 1 0.74959900 0.49911500 0.74951700 1.0