# generated using pymatgen
data_LiAl2BrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63188473
_cell_length_b   5.63188473
_cell_length_c   10.27482600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.38313585
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAl2BrO6
_chemical_formula_sum   'Li2 Al4 Br2 O12'
_cell_volume   283.97410892
_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  0.50000000  1
  Li  Li1  1  0.00000000  0.00000000  0.00000000  1
  Al  Al2  1  0.32734900  0.67265100  0.50000000  1
  Al  Al3  1  0.67265100  0.32734900  0.50000000  1
  Al  Al4  1  0.67265100  0.32734900  0.00000000  1
  Al  Al5  1  0.32734900  0.67265100  0.00000000  1
  Br  Br6  1  0.97048500  0.97048500  0.25000000  1
  Br  Br7  1  0.02951500  0.02951500  0.75000000  1
  O  O8  1  0.99976500  0.41120600  0.92792000  1
  O  O9  1  0.41120600  0.99976500  0.92792000  1
  O  O10  1  0.57266500  0.57266500  0.93139900  1
  O  O11  1  0.00023500  0.58879400  0.07208000  1
  O  O12  1  0.58879400  0.00023500  0.07208000  1
  O  O13  1  0.42733500  0.42733500  0.06860100  1
  O  O14  1  0.00023500  0.58879400  0.42792000  1
  O  O15  1  0.58879400  0.00023500  0.42792000  1
  O  O16  1  0.42733500  0.42733500  0.43139900  1
  O  O17  1  0.99976500  0.41120600  0.57208000  1
  O  O18  1  0.41120600  0.99976500  0.57208000  1
  O  O19  1  0.57266500  0.57266500  0.56860100  1
