# generated using pymatgen
data_LiAl2BrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65319900
_cell_length_b   5.65319930
_cell_length_c   10.42659900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000412
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAl2BrO6
_chemical_formula_sum   'Li2 Al4 Br2 O12'
_cell_volume   288.57709322
_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
  Br  Br6  1  0.00000000  0.00000000  0.75000000  1
  Br  Br7  1  0.00000000  0.00000000  0.25000000  1
  O  O8  1  0.41596100  0.00000000  0.43070700  1
  O  O9  1  0.00000000  0.41596100  0.43070700  1
  O  O10  1  0.58403900  0.58403900  0.43070700  1
  O  O11  1  0.58403900  0.00000000  0.56929300  1
  O  O12  1  0.00000000  0.58403900  0.56929300  1
  O  O13  1  0.41596100  0.41596100  0.56929300  1
  O  O14  1  0.58403900  0.00000000  0.93070700  1
  O  O15  1  0.00000000  0.58403900  0.93070700  1
  O  O16  1  0.41596100  0.41596100  0.93070700  1
  O  O17  1  0.41596100  0.00000000  0.06929300  1
  O  O18  1  0.00000000  0.41596100  0.06929300  1
  O  O19  1  0.58403900  0.58403900  0.06929300  1
