data_[Hf3Fe3Ge3]
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 [P-62m]
_cell_length_a [6.5227]
_cell_length_b [6.5227]
_cell_length_c [3.7319]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [HfFeGe]
_chemical_formula_sum '[Hf3 Fe3 Ge3]'
_cell_volume [137.5051]
_cell_formula_units_Z [3]
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  3  0.0000  0.4173  0.5000  1.0
  Fe  Fe1  3  0.0000  0.7602  0.0000  1.0
  Ge  Ge2  2  0.3333  0.6667  0.0000  1.0
  Ge  Ge3  1  0.0000  0.0000  0.5000  1.0
]