data_[Pr8C2I8Cl2]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.5533]
_cell_length_b [4.0578]
_cell_length_c [8.5522]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1624]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr4CI4Cl]
_chemical_formula_sum '[Pr8 C2 I8 Cl2]'
_cell_volume [663.3307]
_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  0.0013  0.0000  0.7908  1
  Pr  Pr1  4  0.1336  0.5000  0.0677  1
  C  C2  2  0.0000  0.5000  0.0000  1
  I  I3  4  0.1637  0.0000  0.3571  1
  I  I4  4  0.1705  0.0000  0.8096  1
  Cl  Cl5  2  0.0000  0.5000  0.5000  1
]