data_[Pr8H4I10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  H  2.2000  0.2500  0.0000
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.9064]
_cell_length_b [4.2221]
_cell_length_c [9.3703]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6902]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr4H2I5]
_chemical_formula_sum '[Pr8 H4 I10]'
_cell_volume [726.7399]
_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  0.0010  0.0000  0.2762  1.0
  Pr  Pr1  4  0.1243  0.5000  0.5619  1.0
  H  H2  4  0.0011  0.5000  0.3796  1.0
  I  I3  4  0.1706  0.0000  0.8284  1.0
  I  I4  4  0.1753  0.0000  0.3409  1.0
  I  I5  2  0.0000  0.5000  0.0000  1.0
]