# generated using pymatgen data_Th4Ga6Ir7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.42949652 _cell_length_b 7.42949636 _cell_length_c 7.42949727 _cell_angle_alpha 109.47121233 _cell_angle_beta 109.47121190 _cell_angle_gamma 109.47123361 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th4Ga6Ir7 _chemical_formula_sum 'Th4 Ga6 Ir7' _cell_volume 315.68672221 _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 Th Th0 1 0.00000000 0.00000000 0.50000000 1.0 Th Th1 1 0.00000000 0.50000000 0.00000000 1.0 Th Th2 1 0.50000000 0.00000000 0.00000000 1.0 Th Th3 1 0.50000000 0.50000000 0.50000000 1.0 Ga Ga4 1 0.67559070 0.67559070 1.00000000 1.0 Ga Ga5 1 0.32440930 1.00000000 0.32440930 1.0 Ga Ga6 1 1.00000000 0.32440930 0.32440930 1.0 Ga Ga7 1 0.32440930 0.32440930 0.00000000 1.0 Ga Ga8 1 0.67559070 0.00000000 0.67559070 1.0 Ga Ga9 1 0.00000000 0.67559070 0.67559070 1.0 Ir Ir10 1 0.75000000 0.25000000 0.50000000 1.0 Ir Ir11 1 0.75000000 0.50000000 0.25000000 1.0 Ir Ir12 1 0.50000000 0.25000000 0.75000000 1.0 Ir Ir13 1 0.25000000 0.50000000 0.75000000 1.0 Ir Ir14 1 0.25000000 0.75000000 0.50000000 1.0 Ir Ir15 1 0.50000000 0.75000000 0.25000000 1.0 Ir Ir16 1 0.00000000 0.00000000 0.00000000 1.0