data_[Gd2I6O22]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.0769]
_cell_length_b [7.5781]
_cell_length_c [10.7561]
_cell_angle_alpha [94.6342]
_cell_angle_beta [105.4823]
_cell_angle_gamma [110.3905]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [GdI3O11]
_chemical_formula_sum '[Gd2 I6 O22]'
_cell_volume [511.3466]
_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
[
  Gd  Gd0  2  0.1035  0.9223  0.2894  1
  I  I1  2  0.2671  0.2308  0.0453  1
  I  I2  2  0.2781  0.8602  0.6619  1
  I  I3  2  0.3171  0.3588  0.5737  1
  O  O4  2  0.0701  0.1252  0.1298  1
  O  O5  2  0.0980  0.2969  0.9114  1
  O  O6  2  0.0994  0.3480  0.6387  1
  O  O7  2  0.1423  0.2232  0.4073  1
  O  O8  2  0.2240  0.6519  0.2758  1
  O  O9  2  0.2359  0.0574  0.7476  1
  O  O10  2  0.2463  0.7236  0.8877  1
  O  O11  2  0.2937  0.9651  0.5151  1
  O  O12  2  0.3766  0.6015  0.5357  1
  O  O13  2  0.4341  0.0486  0.2483  1
  O  O14  2  0.4356  0.4606  0.1524  1
]