data_[Ge2Cl2F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  Cl  3.1600  1.0000  0.7800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [5.1034]
_cell_length_b [8.4587]
_cell_length_c [18.2134]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [GeClF3]
_chemical_formula_sum '[Ge2 Cl2 F6]'
_cell_volume [786.2313]
_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
[
  Ge  Ge0  2  0.4431  0.0000  0.5028  1
  Cl  Cl1  2  0.2402  0.0000  0.4023  1
  F  F2  4  0.1490  0.3386  0.5081  1
  F  F3  2  0.2446  0.0000  0.5787  1
]