data_[Li2Br2O6]
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 [P2_1]
_cell_length_a [5.4992]
_cell_length_b [5.2451]
_cell_length_c [5.9366]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.8203]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [LiBrO3]
_chemical_formula_sum '[Li2 Br2 O6]'
_cell_volume [169.6376]
_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  2  0.1841  0.6800  0.9961  1.0
  Br  Br1  2  0.2485  0.1758  0.6768  1.0
  O  O2  2  0.1078  0.0295  0.8810  1.0
  O  O3  2  0.1857  0.4852  0.7109  1.0
  O  O4  2  0.4520  0.6294  0.2452  1.0
]