# generated using pymatgen data_Ta3B2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.29059981 _cell_length_b 6.18768812 _cell_length_c 6.18768812 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta3B2 _chemical_formula_sum 'Ta6 B4' _cell_volume 125.98878847 _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 -0.00000000 0.00000000 -0.00000000 1.0 Ta Ta1 1 0.00000000 0.50000000 0.50000000 1.0 Ta Ta2 1 0.50000000 0.82267451 0.32267451 1.0 Ta Ta3 1 0.50000000 0.67732549 0.82267451 1.0 Ta Ta4 1 0.50000000 0.32267451 0.17732549 1.0 Ta Ta5 1 0.50000000 0.17732549 0.67732549 1.0 B B6 1 -0.00000000 0.60818776 0.10818776 1.0 B B7 1 -0.00000000 0.89181224 0.60818776 1.0 B B8 1 0.00000000 0.10818776 0.39181224 1.0 B B9 1 0.00000000 0.39181224 0.89181224 1.0