data_[V12Fe12Ge12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Fe  1.8300  1.4000  0.8525
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [6.8210]
_cell_length_b [10.8028]
_cell_length_c [6.3329]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [VFeGe]
_chemical_formula_sum '[V12 Fe12 Ge12]'
_cell_volume [466.6488]
_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
[
  V  V0  4  0.2500  0.1877  0.5514  1
  V  V1  4  0.2500  0.5026  0.6588  1
  V  V2  4  0.2500  0.7263  0.0133  1
  Fe  Fe3  8  0.0528  0.1253  0.8752  1
  Fe  Fe4  4  0.0000  0.0000  0.4989  1
  Ge  Ge5  8  0.0081  0.1680  0.2444  1
  Ge  Ge6  4  0.2500  0.5439  0.2587  1
]