# generated using pymatgen
data_LiH2BrO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56326500
_cell_length_b   8.11648282
_cell_length_c   10.94410318
_cell_angle_alpha   109.70454591
_cell_angle_beta   90.00000000
_cell_angle_gamma   110.04230994
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiH2BrO5
_chemical_formula_sum   'Li4 H8 Br4 O20'
_cell_volume   433.31371913
_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  0.00000000  1
  Li  Li1  1  0.50000000  0.50000000  0.50000000  1
  Li  Li2  1  0.42988900  0.00000000  0.25000000  1
  Li  Li3  1  0.57011100  0.00000000  0.75000000  1
  H  H4  1  0.54877500  0.21049200  0.50973100  1
  H  H5  1  0.33828300  0.78950800  0.99026900  1
  H  H6  1  0.45122500  0.78950800  0.49026900  1
  H  H7  1  0.66171700  0.21049200  0.00973100  1
  H  H8  1  0.76981200  0.29228500  0.43363000  1
  H  H9  1  0.47752600  0.70771500  0.06637000  1
  H  H10  1  0.23018800  0.70771500  0.56637000  1
  H  H11  1  0.52247400  0.29228500  0.93363000  1
  Br  Br12  1  0.81709800  0.74112100  0.28892200  1
  Br  Br13  1  0.07597700  0.25887900  0.21107800  1
  Br  Br14  1  0.18290200  0.25887900  0.71107800  1
  Br  Br15  1  0.92402300  0.74112100  0.78892200  1
  O  O16  1  0.76839900  0.65206600  0.12694400  1
  O  O17  1  0.11633300  0.34793400  0.37305600  1
  O  O18  1  0.23160100  0.34793400  0.87305600  1
  O  O19  1  0.88366700  0.65206600  0.62694400  1
  O  O20  1  0.73261300  0.57000500  0.34740100  1
  O  O21  1  0.16260900  0.42999500  0.15259900  1
  O  O22  1  0.26738700  0.42999500  0.65259900  1
  O  O23  1  0.83739100  0.57000500  0.84740100  1
  O  O24  1  0.12257800  0.87219600  0.34148000  1
  O  O25  1  0.25038200  0.12780400  0.15852000  1
  O  O26  1  0.87742200  0.12780400  0.65852000  1
  O  O27  1  0.74961800  0.87219600  0.84148000  1
  O  O28  1  0.63684400  0.86954400  0.34065200  1
  O  O29  1  0.76730000  0.13045600  0.15934800  1
  O  O30  1  0.36315600  0.13045600  0.65934800  1
  O  O31  1  0.23270000  0.86954400  0.84065200  1
  O  O32  1  0.58193000  0.25270500  0.43514500  1
  O  O33  1  0.32922400  0.74729500  0.06485500  1
  O  O34  1  0.41807000  0.74729500  0.56485500  1
  O  O35  1  0.67077600  0.25270500  0.93514500  1
