data_[La8Br8O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [10.7921]
_cell_length_b [7.3872]
_cell_length_c [6.9119]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9133]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [La2Br2O]
_chemical_formula_sum '[La8 Br8 O4]'
_cell_volume [524.3213]
_cell_formula_units_Z [4]
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  4  0.1940  0.0219  0.8590  1
  La  La1  4  0.4967  0.6460  0.7394  1
  Br  Br2  4  0.0313  0.7370  0.0078  1
  Br  Br3  4  0.2877  0.0896  0.3329  1
  O  O4  4  0.3716  0.6188  0.3648  1
]