data_[Hf2Fe6Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Fe  1.8300  1.4000  0.8525
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.0031]
_cell_length_b [4.0031]
_cell_length_c [12.3130]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [HfFe3Ge2]
_chemical_formula_sum '[Hf2 Fe6 Ge4]'
_cell_volume [170.8787]
_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
[
  Hf  Hf0  2  0.0000  0.0000  0.2500  1.0
  Fe  Fe1  4  0.3333  0.6667  0.9256  1.0
  Fe  Fe2  2  0.0000  0.0000  0.0000  1.0
  Ge  Ge3  4  0.3333  0.6667  0.1221  1.0
]