# generated using pymatgen data_TaCo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75240349 _cell_length_b 4.75240349 _cell_length_c 15.47540000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999285 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaCo2 _chemical_formula_sum 'Ta8 Co16' _cell_volume 302.69075586 _cell_formula_units_Z 8 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 0.33333300 0.66666700 0.84417800 1.0 Ta Ta1 1 0.00000000 0.00000000 0.09236600 1.0 Ta Ta2 1 0.66666700 0.33333300 0.15582200 1.0 Ta Ta3 1 0.00000000 0.00000000 0.90763400 1.0 Ta Ta4 1 0.00000000 0.00000000 0.59236600 1.0 Ta Ta5 1 0.00000000 0.00000000 0.40763400 1.0 Ta Ta6 1 0.66666700 0.33333300 0.34417800 1.0 Ta Ta7 1 0.33333300 0.66666700 0.65582200 1.0 Co Co8 1 0.50000000 0.00000000 0.00000000 1.0 Co Co9 1 0.83485600 0.16514400 0.75000000 1.0 Co Co10 1 0.66666700 0.33333300 0.87412300 1.0 Co Co11 1 0.16514400 0.33028800 0.25000000 1.0 Co Co12 1 0.33028800 0.16514400 0.75000000 1.0 Co Co13 1 0.83485600 0.66971200 0.75000000 1.0 Co Co14 1 0.00000000 0.50000000 0.00000000 1.0 Co Co15 1 0.66971200 0.83485600 0.25000000 1.0 Co Co16 1 0.50000000 0.00000000 0.50000000 1.0 Co Co17 1 0.16514400 0.83485600 0.25000000 1.0 Co Co18 1 0.33333300 0.66666700 0.12587700 1.0 Co Co19 1 0.50000000 0.50000000 0.00000000 1.0 Co Co20 1 0.66666700 0.33333300 0.62587700 1.0 Co Co21 1 0.00000000 0.50000000 0.50000000 1.0 Co Co22 1 0.33333300 0.66666700 0.37412300 1.0 Co Co23 1 0.50000000 0.50000000 0.50000000 1.0