data_[Ge1H4N1F3]
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
  N  3.0400  0.6500  0.6300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.6940]
_cell_length_b [4.7659]
_cell_length_c [4.8051]
_cell_angle_alpha [81.2342]
_cell_angle_beta [80.5127]
_cell_angle_gamma [78.8809]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [GeH4NF3]
_chemical_formula_sum '[Ge1 H4 N1 F3]'
_cell_volume [103.2240]
_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  0.4257  0.4554  0.4959  1.0
  H  H1  1  0.1114  0.1065  0.9926  1.0
  H  H2  1  0.7460  0.1200  0.0039  1.0
  H  H3  1  0.9420  0.8629  0.2206  1.0
  H  H4  1  0.9871  0.8513  0.8619  1.0
  N  N5  1  0.9461  0.9844  0.0217  1.0
  F  F6  1  0.0202  0.6298  0.5616  1.0
  F  F7  1  0.3365  0.0932  0.4800  1.0
  F  F8  1  0.4149  0.3541  0.9014  1.0
]