data_[La4C8Br4O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  C  2.5500  0.7000  0.3000
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.6877]
_cell_length_b [9.5259]
_cell_length_c [7.8878]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.0775]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LaC2BrO6]
_chemical_formula_sum '[La4 C8 Br4 O24]'
_cell_volume [602.9214]
_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  0.0000  0.4188  0.2500  1.0
  C  C1  8  0.2394  0.1388  0.2108  1.0
  Br  Br2  4  0.0000  0.0990  0.7500  1.0
  O  O3  8  0.1285  0.4113  0.6238  1.0
  O  O4  8  0.1457  0.2302  0.2108  1.0
  O  O5  8  0.2189  0.0822  0.0441  1.0
]