data_[Hf8Zn2Ge2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Zn  1.6500  1.3500  0.8800
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P4/mcc]
_cell_length_a [6.6766]
_cell_length_b [6.6766]
_cell_length_c [5.2910]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [124]
_chemical_formula_structural [Hf4ZnGe]
_chemical_formula_sum '[Hf8 Zn2 Ge2]'
_cell_volume [235.8593]
_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  8  0.1534  0.3441  0.0000  1.0
  Zn  Zn1  2  0.5000  0.5000  0.2500  1.0
  Ge  Ge2  2  0.0000  0.0000  0.2500  1.0
]