data_[Na2Sn4I2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sn  1.9600  1.4500  0.8300
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.4416]
_cell_length_b [4.1910]
_cell_length_c [10.3008]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.9219]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaSn2IBr4]
_chemical_formula_sum '[Na2 Sn4 I2 Br8]'
_cell_volume [545.6996]
_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  2  0.0000  0.0000  0.0000  1.0
  Sn  Sn1  4  0.1843  0.0000  0.7479  1.0
  I  I2  2  0.0000  0.5000  0.5000  1.0
  Br  Br3  4  0.1249  0.5000  0.9392  1.0
  Br  Br4  4  0.1903  0.0000  0.2945  1.0
]