# generated using pymatgen data_Th2Ir6Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34805867 _cell_length_b 5.34805963 _cell_length_c 13.60284661 _cell_angle_alpha 78.66303044 _cell_angle_beta 78.66303804 _cell_angle_gamma 60.00001065 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th2Ir6Pt _chemical_formula_sum 'Th4 Ir12 Pt2' _cell_volume 328.14515012 _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 Th Th0 1 0.95056623 0.95056623 0.14830231 1.0 Th Th1 1 0.04943377 0.04943377 0.85169769 1.0 Th Th2 1 0.85346474 0.85346474 0.43960477 1.0 Th Th3 1 0.14653526 0.14653526 0.56039523 1.0 Ir Ir4 1 0.50000000 0.50000000 0.50000000 1.0 Ir Ir5 1 0.61079526 0.61079526 0.16761422 1.0 Ir Ir6 1 0.38920474 0.38920474 0.83238578 1.0 Ir Ir7 1 0.00000000 0.50000000 0.00000000 1.0 Ir Ir8 1 0.50000000 0.00000000 0.00000000 1.0 Ir Ir9 1 0.50000000 0.50000000 0.00000000 1.0 Ir Ir10 1 0.38848743 0.38848743 0.33112558 1.0 Ir Ir11 1 0.89189955 0.38848743 0.33112558 1.0 Ir Ir12 1 0.38848743 0.89189955 0.33112558 1.0 Ir Ir13 1 0.61151257 0.61151257 0.66887442 1.0 Ir Ir14 1 0.10810045 0.61151257 0.66887442 1.0 Ir Ir15 1 0.61151257 0.10810045 0.66887442 1.0 Pt Pt16 1 0.72183511 0.72183511 0.83449167 1.0 Pt Pt17 1 0.27816489 0.27816489 0.16550833 1.0