# generated using pymatgen data_LaTh(Ga3Ir)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.63682826 _cell_length_b 7.64243096 _cell_length_c 9.52272815 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.69717175 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTh(Ga3Ir)3 _chemical_formula_sum 'La2 Th2 Ga18 Ir6' _cell_volume 482.78497244 _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 La La0 1 0.66952182 0.99632823 0.25000000 1.0 La La1 1 0.33047818 0.00367177 0.75000000 1.0 Th Th2 1 0.99828055 0.67011470 0.25000000 1.0 Th Th3 1 0.00171945 0.32988530 0.75000000 1.0 Ga Ga4 1 0.13492605 0.13371707 0.25000000 1.0 Ga Ga5 1 0.86507395 0.86628293 0.75000000 1.0 Ga Ga6 1 0.00399164 0.33293276 0.07796863 1.0 Ga Ga7 1 0.99600836 0.66706724 0.92203137 1.0 Ga Ga8 1 0.99600836 0.66706724 0.57796863 1.0 Ga Ga9 1 0.33710012 0.00580523 0.42354481 1.0 Ga Ga10 1 0.00399164 0.33293276 0.42203137 1.0 Ga Ga11 1 0.66289988 0.99419477 0.57645519 1.0 Ga Ga12 1 0.66289988 0.99419477 0.92354481 1.0 Ga Ga13 1 0.33710012 0.00580523 0.07645519 1.0 Ga Ga14 1 0.33751328 0.33628437 0.56025505 1.0 Ga Ga15 1 0.66248672 0.66371563 0.43974495 1.0 Ga Ga16 1 0.66248672 0.66371563 0.06025505 1.0 Ga Ga17 1 0.33751328 0.33628437 0.93974495 1.0 Ga Ga18 1 0.33989825 0.54172263 0.25000000 1.0 Ga Ga19 1 0.66010175 0.45827737 0.75000000 1.0 Ga Ga20 1 0.54338817 0.34048615 0.25000000 1.0 Ga Ga21 1 0.45661183 0.65951385 0.75000000 1.0 Ir Ir22 1 0.67451999 0.33164593 0.99975997 1.0 Ir Ir23 1 0.32548001 0.66835407 0.00024003 1.0 Ir Ir24 1 0.32548001 0.66835407 0.49975997 1.0 Ir Ir25 1 0.67451999 0.33164593 0.50024003 1.0 Ir Ir26 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir27 1 0.00000000 0.00000000 0.50000000 1.0