data_[Na4Sn6Br16]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5443]
_cell_length_b [8.6497]
_cell_length_c [7.6064]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.9192]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Sn3Br8]
_chemical_formula_sum '[Na4 Sn6 Br16]'
_cell_volume [945.3436]
_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  0.2169  0.5000  0.5786  1.0
  Sn  Sn1  4  0.0000  0.2523  0.0000  1.0
  Sn  Sn2  2  0.0000  0.0000  0.5000  1.0
  Br  Br3  8  0.1256  0.2350  0.3599  1.0
  Br  Br4  4  0.1153  0.5000  0.8828  1.0
  Br  Br5  4  0.1195  0.0000  0.8597  1.0
]