# generated using pymatgen data_Th2P4Ir7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97990728 _cell_length_b 9.71760526 _cell_length_c 11.07677686 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th2P4Ir7 _chemical_formula_sum 'Th4 P8 Ir14' _cell_volume 428.39620480 _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 0.00000000 0.55975820 0.98852130 1.0 Th Th1 1 0.50000000 0.44024180 0.48852130 1.0 Th Th2 1 0.00000000 0.93600325 0.78522165 1.0 Th Th3 1 0.50000000 0.06399675 0.28522165 1.0 P P4 1 0.00000000 0.50928053 0.70727354 1.0 P P5 1 0.50000000 0.49071947 0.20727354 1.0 P P6 1 0.00000000 0.82165804 0.28704530 1.0 P P7 1 0.50000000 0.17834196 0.78704530 1.0 P P8 1 0.00000000 0.16793710 0.10178303 1.0 P P9 1 0.50000000 0.83206290 0.60178303 1.0 P P10 1 0.00000000 0.18207106 0.46761841 1.0 P P11 1 0.50000000 0.81792894 0.96761841 1.0 Ir Ir12 1 0.00000000 0.58885753 0.28632105 1.0 Ir Ir13 1 0.50000000 0.41114247 0.78632105 1.0 Ir Ir14 1 0.00000000 0.29422118 0.29030488 1.0 Ir Ir15 1 0.50000000 0.70577882 0.79030488 1.0 Ir Ir16 1 0.00000000 0.25401877 0.90946432 1.0 Ir Ir17 1 0.50000000 0.74598123 0.40946432 1.0 Ir Ir18 1 0.00000000 0.92193052 0.09679983 1.0 Ir Ir19 1 0.50000000 0.07806948 0.59679983 1.0 Ir Ir20 1 0.00000000 0.94284817 0.46727632 1.0 Ir Ir21 1 0.50000000 0.05715183 0.96727632 1.0 Ir Ir22 1 0.00000000 0.27009588 0.65699395 1.0 Ir Ir23 1 0.50000000 0.72990412 0.15699395 1.0 Ir Ir24 1 0.00000000 0.69443558 0.58657543 1.0 Ir Ir25 1 0.50000000 0.30556442 0.08657543 1.0