data_[Pr4C8I4O24]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.5965]
_cell_length_b [9.5085]
_cell_length_c [7.9431]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.0553]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [PrC2IO6]
_chemical_formula_sum '[Pr4 C8 I4 O24]'
_cell_volume [607.4830]
_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  0.0000  0.4266  0.2500  1.0
  C  C1  8  0.2447  0.1421  0.2239  1.0
  I  I2  4  0.0000  0.1016  0.7500  1.0
  O  O3  8  0.1278  0.4111  0.6137  1.0
  O  O4  8  0.1515  0.2361  0.2213  1.0
  O  O5  8  0.2278  0.0857  0.0599  1.0
]