data_[Ge2Cl6F2]
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 [Amm2]
_cell_length_a [18.3521]
_cell_length_b [3.5035]
_cell_length_c [13.6593]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [GeCl3F]
_chemical_formula_sum '[Ge2 Cl6 F2]'
_cell_volume [878.2467]
_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  0.0000  0.0000  0.7611  1
  Cl  Cl1  4  0.0913  0.0000  0.2695  1
  Cl  Cl2  2  0.0000  0.0000  0.6029  1
  F  F3  2  0.0000  0.0000  0.8899  1
]