data_[La1Gd1Br2O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Gd  1.2000  1.8000  1.0750
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.0029]
_cell_length_b [4.0029]
_cell_length_c [8.8733]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [LaGd(BrO)2]
_chemical_formula_sum '[La1 Gd1 Br2 O2]'
_cell_volume [142.1826]
_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
[
  La  La0  1  0.0000  0.0000  0.8628  1.0
  Gd  Gd1  1  0.5000  0.5000  0.1325  1.0
  Br  Br2  1  0.0000  0.0000  0.3189  1.0
  Br  Br3  1  0.5000  0.5000  0.6753  1.0
  O  O4  2  0.0000  0.5000  0.0053  1.0
]