data_[Sn2Br16Cl10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [11.0512]
_cell_length_b [11.0512]
_cell_length_c [11.4850]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [SnBr8Cl5]
_chemical_formula_sum '[Sn2 Br16 Cl10]'
_cell_volume [1402.6637]
_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
[
  Sn  Sn0  2  0.0000  0.5000  0.2500  1
  Br  Br1  8  0.0020  0.8454  0.6851  1
  Br  Br2  8  0.1024  0.6519  0.1252  1
  Cl  Cl3  8  0.0055  0.7273  0.8390  1
  Cl  Cl4  2  0.0000  0.0000  0.5000  1
]