data_[Nb6Ga8Ge2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Ga  1.8100  1.3000  0.7600
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.6806]
_cell_length_b [8.3615]
_cell_length_c [7.3155]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Nb3Ga4Ge]
_chemical_formula_sum '[Nb6 Ga8 Ge2]'
_cell_volume [286.3031]
_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  4  0.0000  0.3042  0.3923  1
  Nb  Nb1  2  0.0000  0.5000  0.6936  1
  Ga  Ga2  4  0.0000  0.1960  0.8155  1
  Ga  Ga3  2  0.0000  0.0000  0.1275  1
  Ga  Ga4  2  0.0000  0.0000  0.5180  1
  Ge  Ge5  2  0.0000  0.5000  0.0821  1
]