data_[Cd6Si2S4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Si  1.9000  1.1000  0.5400
  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 [12.7447]
_cell_length_b [6.8441]
_cell_length_c [4.6142]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.8057]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd3Si(SF3)2]
_chemical_formula_sum '[Cd6 Si2 S4 F12]'
_cell_volume [400.4113]
_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
  Si  Si2  2  0.0000  0.0000  0.5000  1.0
  S  S3  4  0.1901  0.5000  0.1412  1.0
  F  F4  8  0.0582  0.1806  0.7211  1.0
  F  F5  4  0.1097  0.0000  0.3089  1.0
]