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 [Immm]
_cell_length_a [4.1068]
_cell_length_b [8.8492]
_cell_length_c [20.6931]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Pr4C2I5]
_chemical_formula_sum '[Pr8 C4 I10]'
_cell_volume [752.0251]
_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  0.0000  0.0000  0.3557  1.0
  Pr  Pr1  4  0.0000  0.3078  0.0000  1.0
  C  C2  4  0.0000  0.0000  0.4665  1.0
  I  I3  8  0.0000  0.2259  0.1569  1.0
  I  I4  2  0.0000  0.5000  0.5000  1.0
]