data_[Nb16Ga4Ge6]
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 [Cmmm]
_cell_length_a [7.8167]
_cell_length_b [12.9416]
_cell_length_c [4.7518]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Nb8Ga2Ge3]
_chemical_formula_sum '[Nb16 Ga4 Ge6]'
_cell_volume [480.6974]
_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  8  0.1972  0.3903  0.5000  1
  Nb  Nb1  4  0.0000  0.1033  0.0000  1
  Nb  Nb2  4  0.0000  0.3255  0.0000  1
  Ga  Ga3  4  0.0000  0.2157  0.5000  1
  Ge  Ge4  4  0.1906  0.5000  0.0000  1
  Ge  Ge5  2  0.0000  0.0000  0.5000  1
]