data_[Hf24Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [10.9831]
_cell_length_b [10.9831]
_cell_length_c [5.4481]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Hf3Ge]
_chemical_formula_sum '[Hf24 Ge8]'
_cell_volume [657.1891]
_cell_formula_units_Z [8]
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  8  0.0284  0.6408  0.0204  1.0
  Hf  Hf1  8  0.0835  0.1075  0.2206  1.0
  Hf  Hf2  8  0.1820  0.2154  0.7484  1.0
  Ge  Ge3  8  0.0388  0.7060  0.5273  1.0
]