data_[Gd1Ho1I2O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  Ho  1.2300  1.7500  1.0410
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.9271]
_cell_length_b [3.9271]
_cell_length_c [9.0899]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [GdHo(IO)2]
_chemical_formula_sum '[Gd1 Ho1 I2 O2]'
_cell_volume [140.1848]
_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
[
  Gd  Gd0  1  0.0000  0.0000  0.8770  1
  Ho  Ho1  1  0.5000  0.5000  0.1205  1
  I  I2  1  0.0000  0.0000  0.3283  1
  I  I3  1  0.5000  0.5000  0.6697  1
  O  O4  2  0.0000  0.5000  0.0022  1
]