data_[Sn1Au1Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.9026]
_cell_length_b [6.7406]
_cell_length_c [7.5382]
_cell_angle_alpha [112.2430]
_cell_angle_beta [110.9423]
_cell_angle_gamma [95.2404]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SnAuCl6]
_chemical_formula_sum '[Sn1 Au1 Cl6]'
_cell_volume [250.1958]
_cell_formula_units_Z [1]
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  0.0000  0.0000  0.0000  1
  Au  Au1  1  0.5000  0.5000  0.0000  1
  Cl  Cl2  2  0.1290  0.6403  0.8588  1
  Cl  Cl3  2  0.2014  0.1398  0.8014  1
  Cl  Cl4  2  0.3671  0.1773  0.3221  1
]