# generated using pymatgen
data_LiH2BrO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.81228232
_cell_length_b   9.81228232
_cell_length_c   10.91188322
_cell_angle_alpha   65.75150162
_cell_angle_beta   65.75150162
_cell_angle_gamma   36.23173912
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiH2BrO5
_chemical_formula_sum   'Li4 H8 Br4 O20'
_cell_volume   559.99614955
_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  0.00000000  0.50000000  1
  Li  Li2  1  0.24644000  0.75356000  0.75000000  1
  Li  Li3  1  0.75356000  0.24644000  0.25000000  1
  H  H4  1  0.55565100  0.63435000  0.28668100  1
  H  H5  1  0.36565000  0.44434900  0.21331900  1
  H  H6  1  0.44434900  0.36565000  0.71331900  1
  H  H7  1  0.63435000  0.55565100  0.78668100  1
  H  H8  1  0.07172200  0.34118600  0.55667200  1
  H  H9  1  0.65881400  0.92827800  0.94332800  1
  H  H10  1  0.92827800  0.65881400  0.44332800  1
  H  H11  1  0.34118600  0.07172200  0.05667200  1
  Br  Br12  1  0.85590100  0.83982400  0.70856900  1
  Br  Br13  1  0.16017600  0.14409900  0.79143100  1
  Br  Br14  1  0.14409900  0.16017600  0.29143100  1
  Br  Br15  1  0.83982400  0.85590100  0.20856900  1
  O  O16  1  0.71694900  0.80739100  0.90911400  1
  O  O17  1  0.19260900  0.28305100  0.59088600  1
  O  O18  1  0.28305100  0.19260900  0.09088600  1
  O  O19  1  0.80739100  0.71694900  0.40911400  1
  O  O20  1  0.70781000  0.90759000  0.61310200  1
  O  O21  1  0.09241000  0.29219000  0.88689800  1
  O  O22  1  0.29219000  0.09241000  0.38689800  1
  O  O23  1  0.90759000  0.70781000  0.11310200  1
  O  O24  1  0.20242400  0.69374600  0.62593500  1
  O  O25  1  0.30625400  0.79757600  0.87406500  1
  O  O26  1  0.79757600  0.30625400  0.37406500  1
  O  O27  1  0.69374600  0.20242400  0.12593500  1
  O  O28  1  0.73254800  0.08902100  0.71637800  1
  O  O29  1  0.91097900  0.26745200  0.78362200  1
  O  O30  1  0.26745200  0.91097900  0.28362200  1
  O  O31  1  0.08902100  0.73254800  0.21637800  1
  O  O32  1  0.48211400  0.70507000  0.75165400  1
  O  O33  1  0.29493000  0.51788600  0.74834600  1
  O  O34  1  0.51788600  0.29493000  0.24834600  1
  O  O35  1  0.70507000  0.48211400  0.25165400  1
