data_[Pr8Sb4I4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sb  2.0500  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.1283]
_cell_length_b [4.3232]
_cell_length_c [15.3347]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Pr2SbI]
_chemical_formula_sum '[Pr8 Sb4 I4]'
_cell_volume [538.8643]
_cell_formula_units_Z [4]
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  0.1559  0.7500  0.2368  1.0
  Pr  Pr1  4  0.1860  0.2500  0.9956  1.0
  Sb  Sb2  4  0.0954  0.7500  0.8467  1.0
  I  I3  4  0.0725  0.2500  0.5924  1.0
]