data_[Ge2I6F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  I  2.6600  1.4000  1.2733
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [8.2151]
_cell_length_b [19.0252]
_cell_length_c [9.0855]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.6285]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [GeI3F]
_chemical_formula_sum '[Ge2 I6 F2]'
_cell_volume [1195.9108]
_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  0.1585  0.4976  0.0639  1
  I  I1  2  0.2436  0.3948  0.8740  1
  I  I2  2  0.4526  0.3942  0.2812  1
  I  I3  2  0.6013  0.4064  0.6394  1
  F  F4  2  0.9699  0.4509  0.0673  1
]