data_[Ge2I2F2]
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 [P2_1/m]
_cell_length_a [4.4632]
_cell_length_b [6.2044]
_cell_length_c [7.2211]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.5304]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [GeIF]
_chemical_formula_sum '[Ge2 I2 F2]'
_cell_volume [199.8903]
_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  0.3882  0.7500  0.6800  1
  I  I1  2  0.3167  0.2500  0.6646  1
  F  F2  2  0.2691  0.2500  0.1795  1
]