data_[Sn2C2N2Cl6]
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
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.4255]
_cell_length_b [7.1900]
_cell_length_c [7.3120]
_cell_angle_alpha [90.0465]
_cell_angle_beta [90.6589]
_cell_angle_gamma [92.4587]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [SnCNCl3]
_chemical_formula_sum '[Sn2 C2 N2 Cl6]'
_cell_volume [337.4785]
_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  1  0.4810  0.9843  0.4947  1
  Sn  Sn1  1  0.5942  0.4935  0.9946  1
  C  C2  1  0.0623  0.9580  0.0576  1
  C  C3  1  0.9559  0.3840  0.5108  1
  N  N4  1  0.8973  0.0177  0.0263  1
  N  N5  1  0.9590  0.5468  0.5081  1
  Cl  Cl6  1  0.4508  0.2939  0.7370  1
  Cl  Cl7  1  0.4567  0.2494  0.2067  1
  Cl  Cl8  1  0.4907  0.7264  0.2408  1
  Cl  Cl9  1  0.4980  0.7737  0.7837  1
  Cl  Cl10  1  0.9545  0.1583  0.5139  1
  Cl  Cl11  1  0.9585  0.4908  0.9868  1
]