# generated using pymatgen data_Th2Mo3P7Ir9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.54848365 _cell_length_b 9.54848376 _cell_length_c 4.03853306 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999620 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th2Mo3P7Ir9 _chemical_formula_sum 'Th2 Mo3 P7 Ir9' _cell_volume 318.87693940 _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 Mo Mo2 1 0.79684520 0.24438584 0.50000000 1.0 Mo Mo3 1 0.75561416 0.55245936 0.50000000 1.0 Mo Mo4 1 0.44754064 0.20315480 0.50000000 1.0 P P5 1 0.78013560 0.03665598 0.00000000 1.0 P P6 1 0.96334402 0.74347962 0.00000000 1.0 P P7 1 0.25652038 0.21986440 0.00000000 1.0 P P8 1 0.38151042 0.93304615 0.50000000 1.0 P P9 1 0.06695385 0.44846527 0.50000000 1.0 P P10 1 0.55153473 0.61848958 0.50000000 1.0 P P11 1 0.66666700 0.33333300 0.00000000 1.0 Ir Ir12 1 0.03326566 0.26047218 0.00000000 1.0 Ir Ir13 1 0.73952782 0.77279348 0.00000000 1.0 Ir Ir14 1 0.22720652 0.96673434 0.00000000 1.0 Ir Ir15 1 0.55355527 0.06008728 0.00000000 1.0 Ir Ir16 1 0.93991272 0.49346699 0.00000000 1.0 Ir Ir17 1 0.50653301 0.44644473 0.00000000 1.0 Ir Ir18 1 0.60914799 0.88760549 0.50000000 1.0 Ir Ir19 1 0.11239451 0.72154149 0.50000000 1.0 Ir Ir20 1 0.27845851 0.39085201 0.50000000 1.0