# generated using pymatgen
data_LiH2BrO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.25826583
_cell_length_b   9.25826583
_cell_length_c   11.16783345
_cell_angle_alpha   87.54075214
_cell_angle_beta   87.54075214
_cell_angle_gamma   30.91322073
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiH2BrO5
_chemical_formula_sum   'Li4 H8 Br4 O20'
_cell_volume   491.29252342
_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  0.46336300  0.53663700  0.25000000  1
  Li  Li3  1  0.53663700  0.46336300  0.75000000  1
  H  H4  1  0.60634600  0.62833700  0.86868100  1
  H  H5  1  0.37166300  0.39365400  0.63131900  1
  H  H6  1  0.39365400  0.37166300  0.13131900  1
  H  H7  1  0.62833700  0.60634600  0.36868100  1
  H  H8  1  0.99880500  0.36353000  0.03451600  1
  H  H9  1  0.63647000  0.00119500  0.46548400  1
  H  H10  1  0.00119500  0.63647000  0.96548400  1
  H  H11  1  0.36353000  0.99880500  0.53451600  1
  Br  Br12  1  0.84244200  0.87652200  0.26020000  1
  Br  Br13  1  0.12347800  0.15755800  0.23980000  1
  Br  Br14  1  0.15755800  0.12347800  0.73980000  1
  Br  Br15  1  0.87652200  0.84244200  0.76020000  1
  O  O16  1  0.72107300  0.85927000  0.41127000  1
  O  O17  1  0.14073000  0.27892700  0.08873000  1
  O  O18  1  0.27892700  0.14073000  0.58873000  1
  O  O19  1  0.85927000  0.72107300  0.91127000  1
  O  O20  1  0.67711500  0.93187800  0.15493300  1
  O  O21  1  0.06812200  0.32288500  0.34506700  1
  O  O22  1  0.32288500  0.06812200  0.84506700  1
  O  O23  1  0.93187800  0.67711500  0.65493300  1
  O  O24  1  0.13755300  0.75055700  0.14682400  1
  O  O25  1  0.24944300  0.86244700  0.35317600  1
  O  O26  1  0.86244700  0.24944300  0.85317700  1
  O  O27  1  0.75055700  0.13755300  0.64682400  1
  O  O28  1  0.63609300  0.19296200  0.28888100  1
  O  O29  1  0.80703800  0.36390700  0.21111900  1
  O  O30  1  0.36390700  0.80703800  0.71111900  1
  O  O31  1  0.19296200  0.63609300  0.78888100  1
  O  O32  1  0.46724300  0.73687800  0.42486500  1
  O  O33  1  0.26312200  0.53275700  0.07513500  1
  O  O34  1  0.53275700  0.26312200  0.57513500  1
  O  O35  1  0.73687800  0.46724300  0.92486500  1
