data_[Pr16I32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [12.5885]
_cell_length_b [12.5885]
_cell_length_c [12.5885]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [PrI2]
_chemical_formula_sum '[Pr16 I32]'
_cell_volume [1994.9134]
_cell_formula_units_Z [16]
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  16  0.1385  0.1385  0.1385  1.0
  I  I1  16  0.1125  0.1125  0.3875  1.0
  I  I2  16  0.1232  0.1232  0.8768  1.0
]