# generated using pymatgen
data_Th2Al3Si2Ir3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.40717665
_cell_length_b   8.40717622
_cell_length_c   8.40717579
_cell_angle_alpha   139.04609395
_cell_angle_beta   102.08615833
_cell_angle_gamma   92.02757622
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2Al3Si2Ir3
_chemical_formula_sum   'Th4 Al6 Si4 Ir6'
_cell_volume   363.07763112
_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  0.87276113  0.62972713  0.24303300  1.0
  Th  Th1  1  0.12723987  0.37027287  0.75696700  1.0
  Th  Th2  1  0.38669412  0.12972713  0.25696700  1.0
  Th  Th3  1  0.61330588  0.87027287  0.74303300  1.0
  Al  Al4  1  0.50000000  0.75000000  0.25000000  1.0
  Al  Al5  1  0.50000000  0.25000000  0.75000000  1.0
  Al  Al6  1  0.24307339  0.99307339  0.75000000  1.0
  Al  Al7  1  0.75692661  0.50692661  0.75000000  1.0
  Al  Al8  1  0.75692661  0.00692661  0.25000000  1.0
  Al  Al9  1  0.24307339  0.49307339  0.25000000  1.0
  Si  Si10  1  0.02933131  0.89009928  0.13923202  1.0
  Si  Si11  1  0.97066869  0.10990072  0.86076798  1.0
  Si  Si12  1  0.75086826  0.39009928  0.36076798  1.0
  Si  Si13  1  0.24913174  0.60990072  0.63923202  1.0
  Ir  Ir14  1  0.00000000  0.75000000  0.75000000  1.0
  Ir  Ir15  1  0.00000000  0.25000000  0.25000000  1.0
  Ir  Ir16  1  0.22984957  0.86667451  0.36317305  1.0
  Ir  Ir17  1  0.77015043  0.13332549  0.63682695  1.0
  Ir  Ir18  1  0.50350046  0.36667451  0.13682695  1.0
  Ir  Ir19  1  0.49649954  0.63332549  0.86317305  1.0