data_[Cs16Pr24C8I52]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [I4_1/amd]
_cell_length_a [18.3131]
_cell_length_b [18.3131]
_cell_length_c [12.8558]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [141]
_chemical_formula_structural [Cs4Pr6C2I13]
_chemical_formula_sum '[Cs16 Pr24 C8 I52]'
_cell_volume [4311.4805]
_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
[
  Cs  Cs0  16  0.1532  0.1532  0.0000  1
  Pr  Pr1  16  0.0000  0.1388  0.5015  1
  Pr  Pr2  8  0.0000  0.0000  0.2663  1
  C  C3  8  0.0000  0.0000  0.4459  1
  I  I4  16  0.0000  0.1725  0.7554  1
  I  I5  16  0.0000  0.1767  0.2476  1
  I  I6  16  0.1714  0.1714  0.5000  1
  I  I7  4  0.0000  0.0000  0.0000  1
]