data_[Gd1As2I1O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  As  2.1800  1.1500  0.6600
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.7457]
_cell_length_b [3.7457]
_cell_length_c [9.2463]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [GdAs2IO4]
_chemical_formula_sum '[Gd1 As2 I1 O4]'
_cell_volume [129.7250]
_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  0.0000  1
  As  As1  2  0.5000  0.5000  0.2553  1
  I  I2  1  0.0000  0.0000  0.5000  1
  O  O3  4  0.0000  0.5000  0.1589  1
]