# generated using pymatgen
data_LiH2BrO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.84303694
_cell_length_b   8.84303694
_cell_length_c   11.03745220
_cell_angle_alpha   76.19956867
_cell_angle_beta   76.19956867
_cell_angle_gamma   36.78783092
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiH2BrO5
_chemical_formula_sum   'Li4 H8 Br4 O20'
_cell_volume   500.28462811
_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
  Li  Li0  1  0.00000000  0.50000000  0.50000000  1
  Li  Li1  1  0.50000000  0.00000000  0.00000000  1
  Li  Li2  1  0.46113700  0.53886300  0.25000000  1
  Li  Li3  1  0.53886300  0.46113700  0.75000000  1
  H  H4  1  0.63480100  0.60960100  0.84899200  1
  H  H5  1  0.39039900  0.36519900  0.65100800  1
  H  H6  1  0.36519900  0.39039900  0.15100800  1
  H  H7  1  0.60960100  0.63480100  0.34899200  1
  H  H8  1  0.03535300  0.33748200  0.03899800  1
  H  H9  1  0.66251800  0.96464700  0.46100200  1
  H  H10  1  0.96464700  0.66251800  0.96100200  1
  H  H11  1  0.33748200  0.03535300  0.53899800  1
  Br  Br12  1  0.82472400  0.90046100  0.23502400  1
  Br  Br13  1  0.09953900  0.17527600  0.26497600  1
  Br  Br14  1  0.17527600  0.09953900  0.76497600  1
  Br  Br15  1  0.90046100  0.82472400  0.73502400  1
  O  O16  1  0.73712900  0.83258000  0.41413700  1
  O  O17  1  0.16742000  0.26287100  0.08586300  1
  O  O18  1  0.26287100  0.16742000  0.58586300  1
  O  O19  1  0.83258000  0.73712900  0.91413700  1
  O  O20  1  0.67526500  0.94257300  0.13757200  1
  O  O21  1  0.05742700  0.32473500  0.36242800  1
  O  O22  1  0.32473500  0.05742700  0.86242800  1
  O  O23  1  0.94257300  0.67526500  0.63757200  1
  O  O24  1  0.18937400  0.72688200  0.12911900  1
  O  O25  1  0.27311800  0.81062600  0.37088100  1
  O  O26  1  0.81062600  0.27311800  0.87088100  1
  O  O27  1  0.72688200  0.18937400  0.62911900  1
  O  O28  1  0.62816300  0.19818200  0.25774600  1
  O  O29  1  0.80181800  0.37183700  0.24225400  1
  O  O30  1  0.37183700  0.80181800  0.74225400  1
  O  O31  1  0.19818200  0.62816300  0.75774600  1
  O  O32  1  0.45657400  0.76613600  0.40377200  1
  O  O33  1  0.23386400  0.54342600  0.09622800  1
  O  O34  1  0.54342600  0.23386400  0.59622800  1
  O  O35  1  0.76613600  0.45657400  0.90377200  1
