# generated using pymatgen data_TaCo3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71013829 _cell_length_b 4.70858400 _cell_length_c 15.40815501 _cell_angle_alpha 90.00000000 _cell_angle_beta 89.99691313 _cell_angle_gamma 60.01091533 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaCo3 _chemical_formula_sum 'Ta6 Co18' _cell_volume 295.97362262 _cell_formula_units_Z 6 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 0.99989200 0.00005400 0.09127900 1.0 Ta Ta1 1 0.00010800 0.99994600 0.90872100 1.0 Ta Ta2 1 0.33335500 0.33332300 0.35248100 1.0 Ta Ta3 1 0.66664500 0.66667700 0.64751900 1.0 Ta Ta4 1 0.66669100 0.66665500 0.84055200 1.0 Ta Ta5 1 0.33330900 0.33334500 0.15944800 1.0 Co Co6 1 0.16236500 0.67528300 0.74775200 1.0 Co Co7 1 0.67525900 0.16237000 0.74777300 1.0 Co Co8 1 0.16236500 0.16235100 0.74775200 1.0 Co Co9 1 0.83763500 0.32471700 0.25224800 1.0 Co Co10 1 0.32474100 0.83763000 0.25222700 1.0 Co Co11 1 0.83763500 0.83764900 0.25224800 1.0 Co Co12 1 0.50000000 0.00000000 0.50000000 1.0 Co Co13 1 0.00000000 0.50000000 0.50000000 1.0 Co Co14 1 0.50000000 0.50000000 0.50000000 1.0 Co Co15 1 0.50000000 0.00000000 0.00000000 1.0 Co Co16 1 0.00000000 0.50000000 0.00000000 1.0 Co Co17 1 0.50000000 0.50000000 0.00000000 1.0 Co Co18 1 0.33328300 0.33335900 0.62556300 1.0 Co Co19 1 0.66671700 0.66664100 0.37443700 1.0 Co Co20 1 0.66675800 0.66662100 0.12833000 1.0 Co Co21 1 0.33324200 0.33337900 0.87167000 1.0 Co Co22 1 0.00005000 0.99997500 0.58634000 1.0 Co Co23 1 0.99995000 0.00002500 0.41366000 1.0