data_[Gd1Bi2Cl1O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  Bi  2.0200  1.6000  1.0350
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9229]
_cell_length_b [3.9229]
_cell_length_c [9.1221]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [GdBi2ClO4]
_chemical_formula_sum '[Gd1 Bi2 Cl1 O4]'
_cell_volume [140.3837]
_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  1.0
  Bi  Bi1  2  0.5000  0.5000  0.2781  1.0
  Cl  Cl2  1  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.0000  0.5000  0.1560  1.0
]