data_[Na4S2Br12]
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
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.0385]
_cell_length_b [7.3694]
_cell_length_c [12.1958]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.0719]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na2SBr6]
_chemical_formula_sum '[Na4 S2 Br12]'
_cell_volume [523.9914]
_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  4  0.2046  0.0983  0.7335  1.0
  S  S1  2  0.5000  0.0000  0.5000  1.0
  Br  Br2  4  0.1525  0.1858  0.4413  1.0
  Br  Br3  4  0.2747  0.7103  0.4525  1.0
  Br  Br4  4  0.3742  0.0149  0.2610  1.0
]