# generated using pymatgen
data_Pr7Th(Si3Ir)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.22127482
_cell_length_b   8.22127578
_cell_length_c   8.58933741
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.58627864
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr7Th(Si3Ir)4
_chemical_formula_sum   'Pr7 Th1 Si12 Ir4'
_cell_volume   504.85209941
_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
  Pr  Pr0  1  0.50018490  0.49981510  0.25000000  1.0
  Pr  Pr1  1  0.00049213  0.50027947  0.75000000  1.0
  Pr  Pr2  1  0.99959927  0.49976281  0.25000000  1.0
  Pr  Pr3  1  0.49972053  0.99950787  0.75000000  1.0
  Pr  Pr4  1  0.50023719  0.00040073  0.25000000  1.0
  Pr  Pr5  1  0.00002535  0.99997465  0.75000000  1.0
  Pr  Pr6  1  0.99996950  0.00003050  0.25000000  1.0
  Th  Th7  1  0.49990897  0.50009103  0.75000000  1.0
  Si  Si8  1  0.83109829  0.16890171  0.99958481  1.0
  Si  Si9  1  0.16887740  0.83112260  0.99915175  1.0
  Si  Si10  1  0.33183463  0.16473836  0.00034132  1.0
  Si  Si11  1  0.16887740  0.83112260  0.50084825  1.0
  Si  Si12  1  0.66816908  0.83525671  0.99966299  1.0
  Si  Si13  1  0.83109829  0.16890171  0.50041519  1.0
  Si  Si14  1  0.83526164  0.66816537  0.00034132  1.0
  Si  Si15  1  0.66816908  0.83525671  0.50033701  1.0
  Si  Si16  1  0.16474329  0.33183092  0.99966299  1.0
  Si  Si17  1  0.33183463  0.16473836  0.49965868  1.0
  Si  Si18  1  0.16474329  0.33183092  0.50033701  1.0
  Si  Si19  1  0.83526164  0.66816537  0.49965868  1.0
  Ir  Ir20  1  0.66307637  0.33692363  0.99426033  1.0
  Ir  Ir21  1  0.33687040  0.66312960  0.99601107  1.0
  Ir  Ir22  1  0.33687040  0.66312960  0.50398893  1.0
  Ir  Ir23  1  0.66307637  0.33692363  0.50573967  1.0