# generated using pymatgen
data_LiAl2H6BrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.20345506
_cell_length_b   5.20345506
_cell_length_c   14.53200000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998807
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAl2H6BrO6
_chemical_formula_sum   'Li2 Al4 H12 Br2 O12'
_cell_volume   340.75300119
_cell_formula_units_Z   2
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
  Al  Al2  1  0.66666700  0.33333300  0.00000000  1
  Al  Al3  1  0.33333300  0.66666700  0.00000000  1
  Al  Al4  1  0.33333300  0.66666700  0.50000000  1
  Al  Al5  1  0.66666700  0.33333300  0.50000000  1
  H  H6  1  0.31450000  0.00000000  0.36823100  1
  H  H7  1  0.00000000  0.31450000  0.36823100  1
  H  H8  1  0.68550000  0.68550000  0.36823100  1
  H  H9  1  0.68550000  0.00000000  0.63176900  1
  H  H10  1  0.00000000  0.68550000  0.63176900  1
  H  H11  1  0.31450000  0.31450000  0.63176900  1
  H  H12  1  0.68550000  0.00000000  0.86823100  1
  H  H13  1  0.00000000  0.68550000  0.86823100  1
  H  H14  1  0.31450000  0.31450000  0.86823100  1
  H  H15  1  0.31450000  0.00000000  0.13176900  1
  H  H16  1  0.00000000  0.31450000  0.13176900  1
  H  H17  1  0.68550000  0.68550000  0.13176900  1
  Br  Br18  1  0.00000000  0.00000000  0.75000000  1
  Br  Br19  1  0.00000000  0.00000000  0.25000000  1
  O  O20  1  0.36911400  0.00000000  0.43303000  1
  O  O21  1  0.00000000  0.36911400  0.43303000  1
  O  O22  1  0.63088600  0.63088600  0.43303000  1
  O  O23  1  0.63088600  0.00000000  0.56697000  1
  O  O24  1  0.00000000  0.63088600  0.56697000  1
  O  O25  1  0.36911400  0.36911400  0.56697000  1
  O  O26  1  0.63088600  0.00000000  0.93303000  1
  O  O27  1  0.00000000  0.63088600  0.93303000  1
  O  O28  1  0.36911400  0.36911400  0.93303000  1
  O  O29  1  0.36911400  0.00000000  0.06697000  1
  O  O30  1  0.00000000  0.36911400  0.06697000  1
  O  O31  1  0.63088600  0.63088600  0.06697000  1
