data_[Ge1H1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  H  2.2000  0.2500  0.0000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.9026]
_cell_length_b [4.9690]
_cell_length_c [5.1678]
_cell_angle_alpha [65.1603]
_cell_angle_beta [89.4755]
_cell_angle_gamma [64.1352]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [GeHF6]
_chemical_formula_sum '[Ge1 H1 F6]'
_cell_volume [100.4370]
_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  0.0000  0.0000  0.0000  1.0
  H  H1  1  0.0000  0.5000  0.5000  1.0
  F  F2  2  0.1418  0.5716  0.3307  1.0
  F  F3  2  0.1956  0.7983  0.7963  1.0
  F  F4  2  0.3367  0.0288  0.1293  1.0
]