# generated using pymatgen data_Ta2Be2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.08635822 _cell_length_b 6.08635822 _cell_length_c 3.50323499 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2Be2Ir _chemical_formula_sum 'Ta4 Be4 Ir2' _cell_volume 129.77298367 _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 0.67211652 0.17211652 0.50000000 1.0 Ta Ta1 1 0.32788348 0.82788348 0.50000000 1.0 Ta Ta2 1 0.17211652 0.32788348 0.50000000 1.0 Ta Ta3 1 0.82788348 0.67211652 0.50000000 1.0 Be Be4 1 0.12460970 0.62460970 0.00000000 1.0 Be Be5 1 0.87539030 0.37539030 0.00000000 1.0 Be Be6 1 0.62460970 0.87539030 0.00000000 1.0 Be Be7 1 0.37539030 0.12460970 0.00000000 1.0 Ir Ir8 1 0.50000000 0.50000000 0.00000000 1.0 Ir Ir9 1 0.00000000 0.00000000 0.00000000 1.0