data_[Sn2H6S2Cl6]
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
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.8375]
_cell_length_b [7.6236]
_cell_length_c [11.1116]
_cell_angle_alpha [93.0841]
_cell_angle_beta [94.2774]
_cell_angle_gamma [105.8003]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [SnH3SCl3]
_chemical_formula_sum '[Sn2 H6 S2 Cl6]'
_cell_volume [392.0325]
_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  0.0066  0.0265  0.6793  1.0
  Sn  Sn1  1  0.9541  0.9942  0.1928  1.0
  H  H2  1  0.0975  0.4358  0.3598  1.0
  H  H3  1  0.3911  0.6476  0.2971  1.0
  H  H4  1  0.4723  0.3950  0.9258  1.0
  H  H5  1  0.5117  0.4403  0.3695  1.0
  H  H6  1  0.6262  0.4402  0.7693  1.0
  H  H7  1  0.8770  0.3868  0.9058  1.0
  S  S8  1  0.3599  0.5598  0.4053  1.0
  S  S9  1  0.7189  0.5158  0.8903  1.0
  Cl  Cl10  1  0.0748  0.1831  0.9119  1.0
  Cl  Cl11  1  0.2858  0.8051  0.7394  1.0
  Cl  Cl12  1  0.4490  0.7626  0.1363  1.0
  Cl  Cl13  1  0.4634  0.2775  0.6238  1.0
  Cl  Cl14  1  0.7228  0.2538  0.2690  1.0
  Cl  Cl15  1  0.9889  0.8718  0.4019  1.0
]