# generated using pymatgen data_Ta _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.51657700 _cell_length_b 10.51657700 _cell_length_c 4.76621000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta _chemical_formula_sum Ta22 _cell_volume 527.13516097 _cell_formula_units_Z 22 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 0.50000000 0.50000000 0.50000000 1.0 Ta Ta1 1 0.00000000 0.00000000 0.00000000 1.0 Ta Ta2 1 0.75799300 0.43215000 0.50000000 1.0 Ta Ta3 1 0.24200700 0.56785000 0.50000000 1.0 Ta Ta4 1 0.93215000 0.74200700 0.00000000 1.0 Ta Ta5 1 0.06785000 0.25799300 0.00000000 1.0 Ta Ta6 1 0.43215000 0.75799300 0.50000000 1.0 Ta Ta7 1 0.56785000 0.24200700 0.50000000 1.0 Ta Ta8 1 0.25799300 0.06785000 0.00000000 1.0 Ta Ta9 1 0.74200700 0.93215000 0.00000000 1.0 Ta Ta10 1 0.03515100 0.37773200 0.50000000 1.0 Ta Ta11 1 0.96484900 0.62226800 0.50000000 1.0 Ta Ta12 1 0.87773200 0.46484900 0.00000000 1.0 Ta Ta13 1 0.12226800 0.53515100 0.00000000 1.0 Ta Ta14 1 0.37773200 0.03515100 0.50000000 1.0 Ta Ta15 1 0.62226800 0.96484900 0.50000000 1.0 Ta Ta16 1 0.53515100 0.12226800 0.00000000 1.0 Ta Ta17 1 0.46484900 0.87773200 0.00000000 1.0 Ta Ta18 1 0.10236000 0.10236000 0.50000000 1.0 Ta Ta19 1 0.89764000 0.89764000 0.50000000 1.0 Ta Ta20 1 0.60236000 0.39764000 0.00000000 1.0 Ta Ta21 1 0.39764000 0.60236000 0.00000000 1.0