# generated using pymatgen data_Th2Sc3P7Ir9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.83301268 _cell_length_b 9.83301230 _cell_length_c 3.95415313 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999797 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th2Sc3P7Ir9 _chemical_formula_sum 'Th2 Sc3 P7 Ir9' _cell_volume 331.09857112 _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 Sc Sc2 1 0.78673165 0.22262405 0.50000000 1.0 Sc Sc3 1 0.77737595 0.56410660 0.50000000 1.0 Sc Sc4 1 0.43589340 0.21326835 0.50000000 1.0 P P5 1 0.77303703 0.02170287 0.00000000 1.0 P P6 1 0.97829713 0.75133316 0.00000000 1.0 P P7 1 0.24866684 0.22696297 0.00000000 1.0 P P8 1 0.38789475 0.92255328 0.50000000 1.0 P P9 1 0.07744672 0.46534247 0.50000000 1.0 P P10 1 0.53465753 0.61210525 0.50000000 1.0 P P11 1 0.66666700 0.33333300 0.00000000 1.0 Ir Ir12 1 0.01960080 0.24622092 0.00000000 1.0 Ir Ir13 1 0.75377908 0.77337989 0.00000000 1.0 Ir Ir14 1 0.22662011 0.98039920 0.00000000 1.0 Ir Ir15 1 0.54246618 0.04589464 0.00000000 1.0 Ir Ir16 1 0.95410536 0.49657054 0.00000000 1.0 Ir Ir17 1 0.50342946 0.45753382 0.00000000 1.0 Ir Ir18 1 0.61251402 0.88020939 0.50000000 1.0 Ir Ir19 1 0.11979061 0.73230364 0.50000000 1.0 Ir Ir20 1 0.26769636 0.38748598 0.50000000 1.0