data_[Ge2H6S2F6]
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
  S  2.5800  1.0000  0.8800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.7892]
_cell_length_b [6.7899]
_cell_length_c [7.6296]
_cell_angle_alpha [85.3053]
_cell_angle_beta [83.8238]
_cell_angle_gamma [85.8843]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [GeH3SF3]
_chemical_formula_sum '[Ge2 H6 S2 F6]'
_cell_volume [245.3331]
_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  1  0.0540  0.0277  0.4609  1.0
  Ge  Ge1  1  0.9599  0.4358  0.0972  1.0
  H  H2  1  0.3171  0.3586  0.6158  1.0
  H  H3  1  0.3242  0.0250  0.8631  1.0
  H  H4  1  0.3765  0.8071  0.0441  1.0
  H  H5  1  0.4320  0.5130  0.8078  1.0
  H  H6  1  0.7308  0.3709  0.6401  1.0
  H  H7  1  0.7842  0.8387  0.8399  1.0
  S  S8  1  0.4997  0.9786  0.9907  1.0
  S  S9  1  0.5044  0.5048  0.6225  1.0
  F  F10  1  0.0590  0.1965  0.6559  1.0
  F  F11  1  0.1111  0.2871  0.3070  1.0
  F  F12  1  0.3367  0.5070  0.0073  1.0
  F  F13  1  0.6700  0.0764  0.4692  1.0
  F  F14  1  0.8978  0.6601  0.2156  1.0
  F  F15  1  0.9253  0.7567  0.7656  1.0
]