data_[Ba4Na2Ag2Br12]
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
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.3988]
_cell_length_b [8.4359]
_cell_length_c [12.8599]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.3800]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba2NaAgBr6]
_chemical_formula_sum '[Ba4 Na2 Ag2 Br12]'
_cell_volume [662.4458]
_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  0.2083  0.1081  0.2495  1.0
  Na  Na1  2  0.5000  0.0000  0.0000  1.0
  Ag  Ag2  2  0.0000  0.0000  0.5000  1.0
  Br  Br3  4  0.1122  0.1778  0.9396  1.0
  Br  Br4  4  0.2678  0.6814  0.9401  1.0
  Br  Br5  4  0.3730  0.0358  0.7437  1.0
]