data_[Ge2I2F6]
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 [Pmn2_1]
_cell_length_a [8.2036]
_cell_length_b [6.5951]
_cell_length_c [5.3995]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [GeIF3]
_chemical_formula_sum '[Ge2 I2 F6]'
_cell_volume [292.1326]
_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  0.5153  0.2249  1.0
  I  I1  2  0.0000  0.8722  0.3569  1.0
  F  F2  4  0.1662  0.4494  0.0412  1.0
  F  F3  2  0.0000  0.3315  0.4576  1.0
]