data_[Na4Li4Br8]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.9944]
_cell_length_b [4.1293]
_cell_length_c [15.6828]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [NaLiBr2]
_chemical_formula_sum '[Na4 Li4 Br8]'
_cell_volume [452.9491]
_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
[
  Na  Na0  4  0.2121  0.7500  0.5691  1.0
  Li  Li1  4  0.1956  0.2500  0.8301  1.0
  Br  Br2  4  0.1631  0.7500  0.1832  1.0
  Br  Br3  4  0.2125  0.2500  0.4254  1.0
]