data_[Na1Li1Al2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  Al  1.6100  1.2500  0.6750
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [6.8532]
_cell_length_b [6.8532]
_cell_length_c [9.5700]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [NaLi(AlBr4)2]
_chemical_formula_sum '[Na1 Li1 Al2 Br8]'
_cell_volume [389.2494]
_cell_formula_units_Z [1]
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
[
  Na  Na0  1  0.0000  0.0000  0.0000  1
  Li  Li1  1  0.0000  0.0000  0.5000  1
  Al  Al2  2  0.3333  0.6667  0.7513  1
  Br  Br3  6  0.0210  0.3292  0.6805  1
  Br  Br4  2  0.3333  0.6667  0.9942  1
]