data_[Sn4N4Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.2437]
_cell_length_b [5.2359]
_cell_length_c [12.3725]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4125]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SnNCl]
_chemical_formula_sum '[Sn4 N4 Cl4]'
_cell_volume [332.9755]
_cell_formula_units_Z [4]
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  0.1876  0.5000  0.9162  1
  N  N1  4  0.0668  0.5000  0.5410  1
  Cl  Cl2  4  0.2041  0.0000  0.7853  1
]