data_[Pr12Ir4Pb2I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ir  2.2000  1.3500  0.7650
  Pb  2.3300  1.8000  1.1225
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.5405]
_cell_length_b [4.3809]
_cell_length_c [9.5860]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0009]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6Ir2PbI3]
_chemical_formula_sum '[Pr12 Ir4 Pb2 I6]'
_cell_volume [815.5946]
_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
[
  Pr  Pr0  4  0.0279  0.0000  0.2506  1.0
  Pr  Pr1  4  0.1653  0.5000  0.1446  1.0
  Pr  Pr2  4  0.1830  0.5000  0.5536  1.0
  Ir  Ir3  4  0.1710  0.0000  0.3451  1.0
  Pb  Pb4  2  0.0000  0.5000  0.0000  1.0
  I  I5  4  0.1611  0.0000  0.8416  1.0
  I  I6  2  0.0000  0.5000  0.5000  1.0
]