data_[Pr4In8I24]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.2464]
_cell_length_b [15.9784]
_cell_length_c [10.1266]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4823]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr(InI3)2]
_chemical_formula_sum '[Pr4 In8 I24]'
_cell_volume [1693.3290]
_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
[
  Pr  Pr0  4  0.0000  0.0515  0.7500  1
  In  In1  8  0.1487  0.3882  0.7949  1
  I  I2  8  0.0508  0.1121  0.0789  1
  I  I3  8  0.1987  0.2006  0.7803  1
  I  I4  8  0.2004  0.4789  0.5528  1
]