data_[Li10Br2O10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.6005]
_cell_length_b [4.1213]
_cell_length_c [5.8231]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9012]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li5BrO5]
_chemical_formula_sum '[Li10 Br2 O10]'
_cell_volume [217.9794]
_cell_formula_units_Z [2]
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
[
  Li  Li0  4  0.1858  0.5000  0.8624  1
  Li  Li1  4  0.2002  0.5000  0.3312  1
  Li  Li2  2  0.0000  0.0000  0.5000  1
  Br  Br3  2  0.0000  0.0000  0.0000  1
  O  O4  4  0.1446  0.0000  0.8266  1
  O  O5  4  0.1587  0.0000  0.3188  1
  O  O6  2  0.0000  0.5000  0.0000  1
]