data_[Pr8Sn2I10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/m]
_cell_length_a [19.9051]
_cell_length_b [4.4564]
_cell_length_c [9.3122]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1498]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr4SnI5]
_chemical_formula_sum '[Pr8 Sn2 I10]'
_cell_volume [807.5302]
_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
[
  Pr  Pr0  4  0.0012  0.0000  0.2277  1.0
  Pr  Pr1  4  0.1551  0.5000  0.0729  1.0
  Sn  Sn2  2  0.0000  0.5000  0.0000  1.0
  I  I3  4  0.1678  0.0000  0.3286  1.0
  I  I4  4  0.1703  0.0000  0.8233  1.0
  I  I5  2  0.0000  0.5000  0.5000  1.0
]