# generated using pymatgen
data_ThPa3Ir4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.19944390
_cell_length_b   5.62077788
_cell_length_c   5.62135738
_cell_angle_alpha   86.29002467
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThPa3Ir4
_chemical_formula_sum   'Th2 Pa6 Ir8'
_cell_volume   353.12055746
_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  0.13901026  0.12172695  0.62894373  1.0
  Th  Th1  1  0.63901026  0.37827305  0.37105627  1.0
  Pa  Pa2  1  0.86430163  0.37476378  0.86906893  1.0
  Pa  Pa3  1  0.36430163  0.12523622  0.13093107  1.0
  Pa  Pa4  1  0.86427565  0.87988467  0.37355826  1.0
  Pa  Pa5  1  0.36427565  0.62011533  0.62644174  1.0
  Pa  Pa6  1  0.13582781  0.62377750  0.12805646  1.0
  Pa  Pa7  1  0.63582781  0.87622250  0.87194354  1.0
  Ir  Ir8  1  0.59951247  0.37847820  0.87228947  1.0
  Ir  Ir9  1  0.09951247  0.12152180  0.12771053  1.0
  Ir  Ir10  1  0.59946185  0.87721153  0.36988103  1.0
  Ir  Ir11  1  0.09946185  0.62278847  0.63011897  1.0
  Ir  Ir12  1  0.39374767  0.62692315  0.12464111  1.0
  Ir  Ir13  1  0.89374767  0.87307685  0.87535889  1.0
  Ir  Ir14  1  0.40386165  0.11741101  0.63356455  1.0
  Ir  Ir15  1  0.90386165  0.38258899  0.36643545  1.0