data_[Sn3Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.2187]
_cell_length_b [19.8818]
_cell_length_c [19.8818]
_cell_angle_alpha [120.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [SnCl2]
_chemical_formula_sum '[Sn3 Cl6]'
_cell_volume [1444.1646]
_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  1  0.1469  0.2937  0.3555  1
  Sn  Sn1  1  0.1876  0.7102  0.6707  1
  Sn  Sn2  1  0.6350  0.5114  0.4804  1
  Cl  Cl3  1  0.1395  0.5507  0.5894  1
  Cl  Cl4  1  0.1424  0.4268  0.3591  1
  Cl  Cl5  1  0.6101  0.6847  0.5581  1
  Cl  Cl6  1  0.6249  0.6921  0.7500  1
  Cl  Cl7  1  0.6381  0.3780  0.4803  1
  Cl  Cl8  1  0.6414  0.2524  0.2566  1
]