data_[Pr1In1Sn2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.3943]
_cell_length_b [9.6053]
_cell_length_c [7.8506]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8345]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [PrIn(SnI4)2]
_chemical_formula_sum '[Pr1 In1 Sn2 I8]'
_cell_volume [557.5281]
_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
[
  Pr  Pr0  1  0.0000  0.0000  0.0000  1.0
  In  In1  1  0.0000  0.5000  0.0000  1.0
  Sn  Sn2  2  0.5000  0.2552  0.5000  1.0
  I  I3  4  0.2501  0.2332  0.1605  1.0
  I  I4  2  0.2459  0.0000  0.6688  1.0
  I  I5  2  0.2706  0.5000  0.6439  1.0
]