# generated using pymatgen data_TaIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.86185079 _cell_length_b 4.83237205 _cell_length_c 13.80566086 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaIr _chemical_formula_sum 'Ta6 Ir6' _cell_volume 190.92577023 _cell_formula_units_Z 6 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 0.94653637 0.75000000 1.0 Ta Ta1 1 0.00000000 0.32494131 0.91438692 1.0 Ta Ta2 1 0.00000000 0.67505869 0.41438692 1.0 Ta Ta3 1 0.00000000 0.67505869 0.08561308 1.0 Ta Ta4 1 -0.00000000 0.05346363 0.25000000 1.0 Ta Ta5 1 0.00000000 0.32494131 0.58561308 1.0 Ir Ir6 1 0.50000000 0.45757498 0.75000000 1.0 Ir Ir7 1 0.50000000 0.54242502 0.25000000 1.0 Ir Ir8 1 0.50000000 0.82362304 0.91796704 1.0 Ir Ir9 1 0.50000000 0.82362304 0.58203296 1.0 Ir Ir10 1 0.50000000 0.17637696 0.08203296 1.0 Ir Ir11 1 0.50000000 0.17637696 0.41796704 1.0