data_[Pr8Fe2I10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Fe  1.8300  1.4000  0.8525
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.5508]
_cell_length_b [4.2843]
_cell_length_c [9.4645]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6178]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr4FeI5]
_chemical_formula_sum '[Pr8 Fe2 I10]'
_cell_volume [770.4770]
_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  0.0002  0.0000  0.7834  1
  Pr  Pr1  4  0.1326  0.5000  0.0672  1
  Fe  Fe2  2  0.0000  0.5000  0.0000  1
  I  I3  4  0.1679  0.0000  0.3327  1
  I  I4  4  0.1715  0.0000  0.8350  1
  I  I5  2  0.0000  0.5000  0.5000  1
]