data_[Nb12Fe12Ge12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Fe  1.8300  1.4000  0.8525
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [7.1181]
_cell_length_b [11.1997]
_cell_length_c [6.5520]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [NbFeGe]
_chemical_formula_sum '[Nb12 Fe12 Ge12]'
_cell_volume [522.3264]
_cell_formula_units_Z [12]
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  0.2500  0.1935  0.2973  1
  Nb  Nb1  4  0.2500  0.5009  0.4105  1
  Nb  Nb2  4  0.2500  0.7196  0.7724  1
  Fe  Fe3  8  0.0409  0.1247  0.6230  1
  Fe  Fe4  4  0.0000  0.0000  0.2499  1
  Ge  Ge5  8  0.0055  0.1679  0.9943  1
  Ge  Ge6  4  0.2500  0.5313  0.0062  1
]