data_[Ge6H18F36]
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 [R-3]
_cell_length_a [9.5800]
_cell_length_b [9.5800]
_cell_length_c [9.3678]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [GeH3F6]
_chemical_formula_sum '[Ge6 H18 F36]'
_cell_volume [744.5598]
_cell_formula_units_Z [6]
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  3  0.0000  0.0000  0.0000  1.0
  Ge  Ge1  3  0.0000  0.0000  0.5000  1.0
  H  H2  18  0.0540  0.8624  0.7476  1.0
  F  F3  18  0.0134  0.8218  0.8471  1.0
  F  F4  18  0.0713  0.1798  0.6130  1.0
]