data_[Cd2In2Si2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
  Si  1.9000  1.1000  0.5400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [4.6750]
_cell_length_b [11.7528]
_cell_length_c [4.9668]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.5112]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CdInSiF6]
_chemical_formula_sum '[Cd2 In2 Si2 F12]'
_cell_volume [270.5562]
_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  2  0.0000  0.6603  0.5000  1.0
  In  In1  2  0.0000  0.0049  0.5000  1.0
  Si  Si2  2  0.0000  0.3330  0.0000  1.0
  F  F3  4  0.1949  0.2302  0.8682  1.0
  F  F4  4  0.1997  0.4364  0.8722  1.0
  F  F5  4  0.2474  0.3346  0.3024  1.0
]