data_[Na10S2I2Br4]
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
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.1262]
_cell_length_b [7.3880]
_cell_length_c [14.6155]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Na5SIBr2]
_chemical_formula_sum '[Na10 S2 I2 Br4]'
_cell_volume [553.5289]
_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  0.0000  0.2559  0.3668  1
  Na  Na1  2  0.0000  0.0000  0.0000  1
  S  S2  2  0.0000  0.5000  0.5000  1
  I  I3  2  0.0000  0.5000  0.0000  1
  Br  Br4  4  0.0000  0.0000  0.2200  1
]