# generated using pymatgen data_Ta2Ti2Ni2C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.15087214 _cell_length_b 8.15087214 _cell_length_c 8.15087214 _cell_angle_alpha 119.81324166 _cell_angle_beta 119.81324166 _cell_angle_gamma 90.32378045 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2Ti2Ni2C _chemical_formula_sum 'Ta8 Ti8 Ni8 C4' _cell_volume 383.98473050 _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 0.31543100 0.31543100 0.00000000 1.0 Ta Ta1 1 0.68456900 0.68456900 0.00000000 1.0 Ta Ta2 1 0.56760300 0.06760300 0.13520600 1.0 Ta Ta3 1 0.93239700 0.43239700 0.86479400 1.0 Ta Ta4 1 0.93239700 0.06760300 0.50000000 1.0 Ta Ta5 1 0.56760300 0.43239700 0.50000000 1.0 Ta Ta6 1 0.93332200 0.43332200 0.50000000 1.0 Ta Ta7 1 0.56667800 0.06667800 0.50000000 1.0 Ti Ti8 1 0.12635700 0.37774000 0.25138200 1.0 Ti Ti9 1 0.12502500 0.87364300 0.25138200 1.0 Ti Ti10 1 0.62226000 0.87364300 0.74861800 1.0 Ti Ti11 1 0.12635700 0.87497500 0.74861800 1.0 Ti Ti12 1 0.68325000 0.68325000 0.36650000 1.0 Ti Ti13 1 0.31675000 0.31675000 0.63350000 1.0 Ti Ti14 1 0.31675000 0.68325000 0.00000000 1.0 Ti Ti15 1 0.68325000 0.31675000 0.00000000 1.0 Ni Ni16 1 0.91975900 0.75942800 0.83967000 1.0 Ni Ni17 1 0.91991100 0.08024100 0.83967000 1.0 Ni Ni18 1 0.24057200 0.08024100 0.16033000 1.0 Ni Ni19 1 0.91975900 0.08008900 0.16033000 1.0 Ni Ni20 1 0.33849400 0.01233300 0.67383900 1.0 Ni Ni21 1 0.33534500 0.66150600 0.67383900 1.0 Ni Ni22 1 0.98766700 0.66150600 0.32616100 1.0 Ni Ni23 1 0.33849400 0.66465500 0.32616100 1.0 C C24 1 0.62225500 0.87129300 0.24903700 1.0 C C25 1 0.62678200 0.37774500 0.24903700 1.0 C C26 1 0.12870700 0.37774500 0.75096300 1.0 C C27 1 0.62225500 0.37321800 0.75096300 1.0