data_[Ge1I2F2]
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 [Pm]
_cell_length_a [2.9833]
_cell_length_b [18.7897]
_cell_length_c [7.8913]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.3610]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ge(IF)2]
_chemical_formula_sum '[Ge1 I2 F2]'
_cell_volume [436.4560]
_cell_formula_units_Z [1]
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  1  0.1009  0.0000  0.2984  1
  I  I1  2  0.6319  0.1008  0.7205  1
  F  F2  2  0.3755  0.0684  0.1838  1
]