# generated using pymatgen data_Ta6BeGa3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.78819195 _cell_length_b 6.78819195 _cell_length_c 3.44568941 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.93102690 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta6BeGa3 _chemical_formula_sum 'Ta6 Be1 Ga3' _cell_volume 158.77570229 _cell_formula_units_Z 1 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 0.83895294 0.68034910 0.50000000 1.0 Ta Ta1 1 0.31033033 0.81033033 0.50000000 1.0 Ta Ta2 1 0.18034910 0.33895294 0.50000000 1.0 Ta Ta3 1 0.67761964 0.17761964 0.50000000 1.0 Ta Ta4 1 0.49366664 0.50063097 0.00000000 1.0 Ta Ta5 1 0.00063097 0.99366664 0.00000000 1.0 Be Be6 1 0.12183138 0.62183138 0.00000000 1.0 Ga Ga7 1 0.62216630 0.87169698 0.00000000 1.0 Ga Ga8 1 0.37169698 0.12216630 0.00000000 1.0 Ga Ga9 1 0.88275471 0.38275471 0.00000000 1.0