data_[Ba2Na2Li2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [P2_1/m]
_cell_length_a [7.2078]
_cell_length_b [7.4811]
_cell_length_c [8.7142]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4881]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaNaLiBr4]
_chemical_formula_sum '[Ba2 Na2 Li2 Br8]'
_cell_volume [450.5703]
_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
[
  Ba  Ba0  2  0.2379  0.2500  0.0603  1.0
  Na  Na1  2  0.2282  0.2500  0.5604  1.0
  Li  Li2  2  0.2422  0.7500  0.3249  1.0
  Br  Br3  4  0.0042  0.0012  0.7461  1.0
  Br  Br4  2  0.4326  0.7500  0.1242  1.0
  Br  Br5  2  0.4637  0.7500  0.5964  1.0
]