data_[Pr8C4I10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  C  2.5500  0.7000  0.3000
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.3760]
_cell_length_b [4.0898]
_cell_length_c [8.8999]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2042]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr4C2I5]
_chemical_formula_sum '[Pr8 C4 I10]'
_cell_volume [722.0600]
_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  0.3087  1
  Pr  Pr1  4  0.1512  0.5000  0.5815  1
  C  C2  4  0.0350  0.5000  0.5179  1
  I  I3  4  0.1610  0.0000  0.8580  1
  I  I4  4  0.1668  0.0000  0.3126  1
  I  I5  2  0.0000  0.5000  0.0000  1
]