data_[Sn2C1Br1Cl1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  C  2.5500  0.7000  0.3000
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.9652]
_cell_length_b [4.9652]
_cell_length_c [4.7066]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Sn2CBrCl]
_chemical_formula_sum '[Sn2 C1 Br1 Cl1]'
_cell_volume [116.0300]
_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  0.0000  0.5000  0.0000  1
  C  C1  1  0.0000  0.0000  0.0000  1
  Br  Br2  1  0.5000  0.5000  0.5000  1
  Cl  Cl3  1  0.0000  0.0000  0.5000  1
]