# generated using pymatgen
data_Th4Re(Si2Ir)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.22749990
_cell_length_b   8.22749947
_cell_length_c   8.22749984
_cell_angle_alpha   137.20343059
_cell_angle_beta   105.53267372
_cell_angle_gamma   89.91070748
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th4Re(Si2Ir)5
_chemical_formula_sum   'Th4 Re1 Si10 Ir5'
_cell_volume   348.01927152
_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  0.86202679  0.63257370  0.23720053  1.0
  Th  Th1  1  0.13797421  0.37517374  0.77054691  1.0
  Th  Th2  1  0.39537317  0.12482626  0.26279947  1.0
  Th  Th3  1  0.60462683  0.86742630  0.72945309  1.0
  Re  Re4  1  0.00000000  0.75000000  0.75000000  1.0
  Si  Si5  1  0.50000000  0.75000000  0.25000000  1.0
  Si  Si6  1  0.50000000  0.25000000  0.75000000  1.0
  Si  Si7  1  0.22698368  0.97698368  0.75000000  1.0
  Si  Si8  1  0.77301632  0.52301632  0.75000000  1.0
  Si  Si9  1  0.77060844  0.02060844  0.25000000  1.0
  Si  Si10  1  0.22939156  0.47939156  0.25000000  1.0
  Si  Si11  1  0.04109069  0.89165638  0.14743163  1.0
  Si  Si12  1  0.95890931  0.10634095  0.85056570  1.0
  Si  Si13  1  0.74422475  0.39365905  0.35256837  1.0
  Si  Si14  1  0.25577525  0.60834362  0.64943430  1.0
  Ir  Ir15  1  0.00000000  0.25000000  0.25000000  1.0
  Ir  Ir16  1  0.24662968  0.86299715  0.38826885  1.0
  Ir  Ir17  1  0.75337032  0.14164117  0.61636947  1.0
  Ir  Ir18  1  0.47472831  0.35835883  0.11173115  1.0
  Ir  Ir19  1  0.52527169  0.63700285  0.88363053  1.0