data_[Cs1Pr1Sn2I8]
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
  Sn  1.9600  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.5093]
_cell_length_b [7.9689]
_cell_length_c [10.3774]
_cell_angle_alpha [83.5798]
_cell_angle_beta [84.2317]
_cell_angle_gamma [87.0108]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsPr(SnI4)2]
_chemical_formula_sum '[Cs1 Pr1 Sn2 I8]'
_cell_volume [613.4484]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1.0
  Pr  Pr1  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  2  0.4766  0.4877  0.7453  1.0
  I  I3  2  0.2337  0.3296  0.9795  1.0
  I  I4  2  0.2520  0.8359  0.2090  1.0
  I  I5  2  0.2614  0.3919  0.5456  1.0
  I  I6  2  0.2657  0.8487  0.7829  1.0
]