# generated using pymatgen
data_LiH2BrO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77338129
_cell_length_b   5.77338129
_cell_length_c   8.04646200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.51079960
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiH2BrO
_chemical_formula_sum   'Li4 H8 Br4 O4'
_cell_volume   268.19346176
_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  0.00000000  0.00000000  1
  Li  Li1  1  0.00000000  0.00000000  0.50000000  1
  Li  Li2  1  0.68283000  0.31717000  0.25000000  1
  Li  Li3  1  0.31717000  0.68283000  0.75000000  1
  H  H4  1  0.60058500  0.20983500  0.94126600  1
  H  H5  1  0.20983500  0.60058500  0.05873400  1
  H  H6  1  0.20983500  0.60058500  0.44126600  1
  H  H7  1  0.60058500  0.20983500  0.55873400  1
  H  H8  1  0.79016500  0.39941500  0.55873400  1
  H  H9  1  0.39941500  0.79016500  0.05873400  1
  H  H10  1  0.79016500  0.39941500  0.94126600  1
  H  H11  1  0.39941500  0.79016500  0.44126600  1
  Br  Br12  1  0.21969300  0.27725100  0.25000000  1
  Br  Br13  1  0.27725100  0.21969300  0.75000000  1
  Br  Br14  1  0.72274900  0.78030700  0.25000000  1
  Br  Br15  1  0.78030700  0.72274900  0.75000000  1
  O  O16  1  0.74465000  0.25535000  0.00033900  1
  O  O17  1  0.74465000  0.25535000  0.49966100  1
  O  O18  1  0.25535000  0.74465000  0.50033900  1
  O  O19  1  0.25535000  0.74465000  0.99966100  1
