# generated using pymatgen data_Th2Ta3P7Ir9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.60479229 _cell_length_b 9.60479142 _cell_length_c 4.05352803 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999962 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th2Ta3P7Ir9 _chemical_formula_sum 'Th2 Ta3 P7 Ir9' _cell_volume 323.84688864 _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 Ta Ta2 1 0.79541477 0.24194582 0.50000000 1.0 Ta Ta3 1 0.75805418 0.55346895 0.50000000 1.0 Ta Ta4 1 0.44653105 0.20458523 0.50000000 1.0 P P5 1 0.78062554 0.03493643 0.00000000 1.0 P P6 1 0.96506357 0.74568910 0.00000000 1.0 P P7 1 0.25431090 0.21937446 0.00000000 1.0 P P8 1 0.37911835 0.92832666 0.50000000 1.0 P P9 1 0.07167334 0.45079369 0.50000000 1.0 P P10 1 0.54920631 0.62088165 0.50000000 1.0 P P11 1 0.66666700 0.33333300 0.00000000 1.0 Ir Ir12 1 0.03199747 0.25880321 0.00000000 1.0 Ir Ir13 1 0.74119679 0.77319425 0.00000000 1.0 Ir Ir14 1 0.22680575 0.96800253 0.00000000 1.0 Ir Ir15 1 0.55650070 0.06260596 0.00000000 1.0 Ir Ir16 1 0.93739404 0.49389474 0.00000000 1.0 Ir Ir17 1 0.50610526 0.44349930 0.00000000 1.0 Ir Ir18 1 0.61024767 0.88974856 0.50000000 1.0 Ir Ir19 1 0.11025144 0.72049711 0.50000000 1.0 Ir Ir20 1 0.27950289 0.38975233 0.50000000 1.0