data_[Ba4Na2Li2Br12]
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/c]
_cell_length_a [7.3107]
_cell_length_b [8.2942]
_cell_length_c [12.8481]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7101]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba2NaLiBr6]
_chemical_formula_sum '[Ba4 Na2 Li2 Br12]'
_cell_volume [640.4241]
_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  4  0.2151  0.6025  0.7500  1.0
  Na  Na1  2  0.5000  0.0000  0.0000  1.0
  Li  Li2  2  0.0000  0.0000  0.5000  1.0
  Br  Br3  4  0.1128  0.6880  0.4419  1.0
  Br  Br4  4  0.2615  0.1777  0.4459  1.0
  Br  Br5  4  0.3516  0.5280  0.2391  1.0
]