data_[Cs4Pr2I8]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [9.7466]
_cell_length_b [16.4745]
_cell_length_c [4.5405]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Cs2PrI4]
_chemical_formula_sum '[Cs4 Pr2 I8]'
_cell_volume [729.0624]
_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
[
  Cs  Cs0  4  0.0810  0.1664  0.5000  1.0
  Pr  Pr1  2  0.0000  0.5000  0.0000  1.0
  I  I2  4  0.1073  0.6844  0.0000  1.0
  I  I3  4  0.2332  0.4547  0.5000  1.0
]