data_[Hf4Zr4Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Zr  1.3300  1.5500  0.8600
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [8.1124]
_cell_length_b [7.0318]
_cell_length_c [5.6874]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [HfZrGe2]
_chemical_formula_sum '[Hf4 Zr4 Ge8]'
_cell_volume [324.4360]
_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  4  0.3751  0.0816  0.7500  1
  Zr  Zr1  4  0.1247  0.5850  0.7500  1
  Ge  Ge2  4  0.1279  0.2500  0.0000  1
  Ge  Ge3  4  0.3775  0.7500  0.0000  1
]