# generated using pymatgen
data_Pr12Ir3AuI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.97736252
_cell_length_b   10.97736320
_cell_length_c   10.97736350
_cell_angle_alpha   109.79439157
_cell_angle_beta   109.79439269
_cell_angle_gamma   109.79439197
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr12Ir3AuI12
_chemical_formula_sum   'Pr12 Ir3 Au1 I12'
_cell_volume   1005.92330990
_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  0.45927517  0.48761197  0.22309279  1.0
  Pr  Pr1  1  0.75000000  0.22824619  0.27175381  1.0
  Pr  Pr2  1  0.75000000  0.02036368  0.47963632  1.0
  Pr  Pr3  1  0.22309279  0.45927517  0.48761197  1.0
  Pr  Pr4  1  0.27175381  0.75000000  0.22824619  1.0
  Pr  Pr5  1  0.04072483  0.27690721  0.01238803  1.0
  Pr  Pr6  1  0.01238803  0.04072483  0.27690721  1.0
  Pr  Pr7  1  0.47963632  0.75000000  0.02036368  1.0
  Pr  Pr8  1  0.48761197  0.22309279  0.45927517  1.0
  Pr  Pr9  1  0.02036368  0.47963632  0.75000000  1.0
  Pr  Pr10  1  0.27690721  0.01238803  0.04072483  1.0
  Pr  Pr11  1  0.22824619  0.27175381  0.75000000  1.0
  Ir  Ir12  1  0.50131733  0.99868267  0.25000000  1.0
  Ir  Ir13  1  0.99868267  0.25000000  0.50131733  1.0
  Ir  Ir14  1  0.25000000  0.50131733  0.99868267  1.0
  Au  Au15  1  0.25000000  0.25000000  0.25000000  1.0
  I  I16  1  0.25000000  0.76062375  0.73937625  1.0
  I  I17  1  0.51620052  0.50630735  0.75618842  1.0
  I  I18  1  0.98379948  0.74381158  0.99369265  1.0
  I  I19  1  0.73937625  0.25000000  0.76062375  1.0
  I  I20  1  0.99369265  0.98379948  0.74381158  1.0
  I  I21  1  0.25000000  0.99306741  0.50693259  1.0
  I  I22  1  0.75618842  0.51620052  0.50630735  1.0
  I  I23  1  0.50693259  0.25000000  0.99306741  1.0
  I  I24  1  0.76062375  0.73937625  0.25000000  1.0
  I  I25  1  0.74381158  0.99369265  0.98379948  1.0
  I  I26  1  0.99306741  0.50693259  0.25000000  1.0
  I  I27  1  0.50630735  0.75618842  0.51620052  1.0