data_[Nb2V2Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  V  1.6300  1.3500  0.7775
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.0805]
_cell_length_b [3.3494]
_cell_length_c [6.6893]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.6104]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NbVGe4]
_chemical_formula_sum '[Nb2 V2 Ge8]'
_cell_volume [189.1474]
_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
[
  Nb  Nb0  2  0.0000  0.0000  0.5000  1
  V  V1  2  0.0000  0.0000  0.0000  1
  Ge  Ge2  4  0.1608  0.5000  0.8391  1
  Ge  Ge3  4  0.1626  0.5000  0.3227  1
]