# generated using pymatgen data_Th2Nb3P7Ir9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.61625994 _cell_length_b 9.61625935 _cell_length_c 4.05848698 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999867 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th2Nb3P7Ir9 _chemical_formula_sum 'Th2 Nb3 P7 Ir9' _cell_volume 325.01780792 _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 0.33333300 0.66666700 0.00000000 1.0 Th Th1 1 0.00000000 0.00000000 0.50000000 1.0 Nb Nb2 1 0.79470214 0.24068690 0.50000000 1.0 Nb Nb3 1 0.75931310 0.55401624 0.50000000 1.0 Nb Nb4 1 0.44598376 0.20529786 0.50000000 1.0 P P5 1 0.78029704 0.03451634 0.00000000 1.0 P P6 1 0.96548366 0.74578070 0.00000000 1.0 P P7 1 0.25421930 0.21970296 0.00000000 1.0 P P8 1 0.38073695 0.92918368 0.50000000 1.0 P P9 1 0.07081632 0.45155327 0.50000000 1.0 P P10 1 0.54844673 0.61926305 0.50000000 1.0 P P11 1 0.66666700 0.33333300 0.00000000 1.0 Ir Ir12 1 0.03261649 0.25827023 0.00000000 1.0 Ir Ir13 1 0.74172977 0.77434626 0.00000000 1.0 Ir Ir14 1 0.22565374 0.96738351 0.00000000 1.0 Ir Ir15 1 0.55427214 0.05948236 0.00000000 1.0 Ir Ir16 1 0.94051764 0.49478978 0.00000000 1.0 Ir Ir17 1 0.50521022 0.44572786 0.00000000 1.0 Ir Ir18 1 0.60924102 0.88754718 0.50000000 1.0 Ir Ir19 1 0.11245282 0.72169184 0.50000000 1.0 Ir Ir20 1 0.27830816 0.39075898 0.50000000 1.0