data_[Al4Sn2Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Sn  1.9600  1.4500  0.8300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2655]
_cell_length_b [9.1452]
_cell_length_c [6.4564]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.3663]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al2SnCl8]
_chemical_formula_sum '[Al4 Sn2 Cl16]'
_cell_volume [772.8260]
_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
[
  Al  Al0  4  0.1962  0.0000  0.6587  1.0
  Sn  Sn1  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl2  8  0.1125  0.1870  0.7573  1.0
  Cl  Cl3  4  0.1477  0.5000  0.2105  1.0
  Cl  Cl4  4  0.1823  0.0000  0.3166  1.0
]