data_[Nb4Ge8F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Ge  2.0100  1.2500  0.7700
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [7.1485]
_cell_length_b [7.1485]
_cell_length_c [4.9855]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [122]
_chemical_formula_structural [NbGe2F]
_chemical_formula_sum '[Nb4 Ge8 F4]'
_cell_volume [254.7627]
_cell_formula_units_Z [4]
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
[
  Nb  Nb0  4  0.0000  0.0000  0.0000  1
  Ge  Ge1  8  0.2075  0.2500  0.6250  1
  F  F2  4  0.0000  0.0000  0.5000  1
]