data_[Sn4Br2Cl6]
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 [Pmc2_1]
_cell_length_a [21.3398]
_cell_length_b [4.0651]
_cell_length_c [13.2976]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Sn2BrCl3]
_chemical_formula_sum '[Sn4 Br2 Cl6]'
_cell_volume [1153.5471]
_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  4  0.0914  0.0814  0.0244  1
  Br  Br1  2  0.0000  0.0723  0.8774  1
  Cl  Cl2  4  0.1485  0.4274  0.4251  1
  Cl  Cl3  2  0.0000  0.4342  0.6075  1
]