# generated using pymatgen
data_LiBrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.00645700
_cell_length_b   7.01295600
_cell_length_c   12.61701700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBrO3
_chemical_formula_sum   'Li8 Br8 O24'
_cell_volume   619.94942756
_cell_formula_units_Z   8
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  1  0.24565100  0.63640800  0.96967900  1
  Li  Li1  1  0.74565100  0.86359200  0.03032100  1
  Li  Li2  1  0.75434900  0.13640800  0.53032100  1
  Li  Li3  1  0.25434900  0.36359200  0.46967900  1
  Li  Li4  1  0.75434900  0.36359200  0.03032100  1
  Li  Li5  1  0.25434900  0.13640800  0.96967900  1
  Li  Li6  1  0.24565100  0.86359200  0.46967900  1
  Li  Li7  1  0.74565100  0.63640800  0.53032100  1
  Br  Br8  1  0.48762900  0.88355700  0.78629700  1
  Br  Br9  1  0.98762900  0.61644300  0.21370300  1
  Br  Br10  1  0.51237100  0.38355700  0.71370300  1
  Br  Br11  1  0.01237100  0.11644300  0.28629700  1
  Br  Br12  1  0.51237100  0.11644300  0.21370300  1
  Br  Br13  1  0.01237100  0.38355700  0.78629700  1
  Br  Br14  1  0.48762900  0.61644300  0.28629700  1
  Br  Br15  1  0.98762900  0.88355700  0.71370300  1
  O  O16  1  0.48361300  0.07649400  0.87115600  1
  O  O17  1  0.98361300  0.42350600  0.12884400  1
  O  O18  1  0.51638700  0.57649400  0.62884400  1
  O  O19  1  0.01638700  0.92350600  0.37115600  1
  O  O20  1  0.51638700  0.92350600  0.12884400  1
  O  O21  1  0.01638700  0.57649400  0.87115600  1
  O  O22  1  0.48361300  0.42350600  0.37115600  1
  O  O23  1  0.98361300  0.07649400  0.62884400  1
  O  O24  1  0.45726400  0.67993000  0.86216200  1
  O  O25  1  0.95726400  0.82007000  0.13783800  1
  O  O26  1  0.54273600  0.17993000  0.63783800  1
  O  O27  1  0.04273600  0.32007000  0.36216200  1
  O  O28  1  0.54273600  0.32007000  0.13783800  1
  O  O29  1  0.04273600  0.17993000  0.86216200  1
  O  O30  1  0.45726400  0.82007000  0.36216200  1
  O  O31  1  0.95726400  0.67993000  0.63783800  1
  O  O32  1  0.22301300  0.88629700  0.03027800  1
  O  O33  1  0.72301300  0.61370300  0.96972200  1
  O  O34  1  0.77698700  0.38629700  0.46972200  1
  O  O35  1  0.27698700  0.11370300  0.53027800  1
  O  O36  1  0.77698700  0.11370300  0.96972200  1
  O  O37  1  0.27698700  0.38629700  0.03027800  1
  O  O38  1  0.22301300  0.61370300  0.53027800  1
  O  O39  1  0.72301300  0.88629700  0.46972200  1
