data_[Na12Br2Cl10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0303]
_cell_length_b [12.2105]
_cell_length_c [7.0444]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5708]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na6BrCl5]
_chemical_formula_sum '[Na12 Br2 Cl10]'
_cell_volume [569.7830]
_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
[
  Na  Na0  8  0.2447  0.6712  0.7468  1
  Na  Na1  4  0.2437  0.5000  0.2558  1
  Br  Br2  2  0.0000  0.0000  0.0000  1
  Cl  Cl3  4  0.0000  0.1667  0.5000  1
  Cl  Cl4  4  0.0000  0.3338  0.0000  1
  Cl  Cl5  2  0.0000  0.5000  0.5000  1
]