# generated using pymatgen data_TaTi5(GaIr2)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.06974595 _cell_length_b 6.99251854 _cell_length_c 12.21489586 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00052357 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaTi5(GaIr2)6 _chemical_formula_sum 'Ta1 Ti5 Ga6 Ir12' _cell_volume 347.60874573 _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 0.00000000 0.50000000 0.00000000 1.0 Ti Ti1 1 0.50000743 0.00000000 0.16836716 1.0 Ti Ti2 1 0.00001264 0.50000000 0.33500119 1.0 Ti Ti3 1 0.49999900 0.00000000 0.50000000 1.0 Ti Ti4 1 0.99998736 0.50000000 0.66499881 1.0 Ti Ti5 1 0.49999257 0.00000000 0.83163184 1.0 Ga Ga6 1 0.00000000 0.00000000 0.00000000 1.0 Ga Ga7 1 0.50001720 0.50000000 0.17078921 1.0 Ga Ga8 1 0.00000381 0.00000000 0.33476101 1.0 Ga Ga9 1 0.49999900 0.50000000 0.50000000 1.0 Ga Ga10 1 0.99999619 0.00000000 0.66523899 1.0 Ga Ga11 1 0.49998280 0.50000000 0.82920979 1.0 Ir Ir12 1 0.49999900 0.24751669 0.00000000 1.0 Ir Ir13 1 0.49999900 0.75248231 0.00000000 1.0 Ir Ir14 1 0.00000986 0.24873218 0.16725832 1.0 Ir Ir15 1 0.00000986 0.75126782 0.16725832 1.0 Ir Ir16 1 0.50000425 0.24933305 0.33363734 1.0 Ir Ir17 1 0.50000425 0.75066695 0.33363734 1.0 Ir Ir18 1 0.00000000 0.25016502 0.50000000 1.0 Ir Ir19 1 0.00000000 0.74983298 0.50000000 1.0 Ir Ir20 1 0.49999575 0.24933305 0.66636266 1.0 Ir Ir21 1 0.49999575 0.75066695 0.66636266 1.0 Ir Ir22 1 0.99999014 0.24873218 0.83274268 1.0 Ir Ir23 1 0.99999014 0.75126782 0.83274268 1.0