data_[Sn4Br3Cl4]
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 [P-1]
_cell_length_a [6.9560]
_cell_length_b [7.6962]
_cell_length_c [8.5765]
_cell_angle_alpha [80.8928]
_cell_angle_beta [88.6223]
_cell_angle_gamma [64.9746]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sn4Br3Cl4]
_chemical_formula_sum '[Sn4 Br3 Cl4]'
_cell_volume [410.3202]
_cell_formula_units_Z [1]
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  0.2943  0.4417  0.3724  1
  Sn  Sn1  2  0.3503  0.9045  0.8368  1
  Br  Br2  2  0.2580  0.0987  0.1204  1
  Br  Br3  1  0.5000  0.5000  0.0000  1
  Cl  Cl4  2  0.1941  0.2878  0.6394  1
  Cl  Cl5  2  0.3022  0.7276  0.5207  1
]