data_[Na12S2Br4Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  S  2.5800  1.0000  0.8800
  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 [7.4027]
_cell_length_b [12.2691]
_cell_length_c [7.3670]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.2379]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na6S(BrCl)2]
_chemical_formula_sum '[Na12 S2 Br4 Cl4]'
_cell_volume [619.3411]
_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  0.2164  0.1706  0.7092  1
  Na  Na1  4  0.2197  0.0000  0.2871  1
  S  S2  2  0.0000  0.0000  0.5000  1
  Br  Br3  4  0.0000  0.1788  0.0000  1
  Cl  Cl4  4  0.0000  0.3444  0.5000  1
]