data_[Na16I8Br4Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [8.8397]
_cell_length_b [12.4372]
_cell_length_c [8.8686]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [Na4I2BrCl]
_chemical_formula_sum '[Na16 I8 Br4 Cl4]'
_cell_volume [975.0203]
_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  8  0.0000  0.2347  0.4338  1
  Na  Na1  8  0.2400  0.0000  0.2001  1
  I  I2  8  0.2500  0.2500  0.1829  1
  Br  Br3  4  0.0000  0.0000  0.9362  1
  Cl  Cl4  4  0.0000  0.0000  0.4274  1
]