data_[Cd6Sn2S4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1302]
_cell_length_b [7.1161]
_cell_length_c [4.7743]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.2261]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd3Sn(SF3)2]
_chemical_formula_sum '[Cd6 Sn2 S4 F12]'
_cell_volume [443.4632]
_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
[
  Cd  Cd0  4  0.2500  0.2500  0.5000  1.0
  Cd  Cd1  2  0.0000  0.5000  0.0000  1.0
  Sn  Sn2  2  0.0000  0.0000  0.5000  1.0
  S  S3  4  0.1851  0.5000  0.1739  1.0
  F  F4  8  0.0671  0.2085  0.7385  1.0
  F  F5  4  0.1258  0.0000  0.2920  1.0
]