data_[Sn3H12N3Cl9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  H  2.2000  0.2500  0.0000
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.4632]
_cell_length_b [7.4632]
_cell_length_c [11.4334]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [SnH4NCl3]
_chemical_formula_sum '[Sn3 H12 N3 Cl9]'
_cell_volume [551.5151]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.4883  1.0
  H  H1  9  0.1368  0.0099  0.0058  1.0
  H  H2  3  0.0000  0.0000  0.1259  1.0
  N  N3  3  0.0000  0.0000  0.0357  1.0
  Cl  Cl4  9  0.0873  0.3416  0.2794  1.0
]