data_[Hf20Ga8Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ga  1.8100  1.3000  0.7600
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.1149]
_cell_length_b [7.1149]
_cell_length_c [12.3164]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Hf5Ga2Ge]
_chemical_formula_sum '[Hf20 Ga8 Ge4]'
_cell_volume [623.4882]
_cell_formula_units_Z [4]
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  16  0.1592  0.3408  0.6535  1.0
  Hf  Hf1  4  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  8  0.1357  0.3643  0.0000  1.0
  Ge  Ge3  4  0.0000  0.0000  0.2500  1.0
]