data_[Hf1Nb1Ge4Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Nb  1.6000  1.4500  0.8200
  Ge  2.0100  1.2500  0.7700
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.8650]
_cell_length_b [3.8650]
_cell_length_c [9.5118]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [HfNb(Ge2Au)2]
_chemical_formula_sum '[Hf1 Nb1 Ge4 Au2]'
_cell_volume [142.0927]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.7222  1
  Nb  Nb1  1  0.5000  0.5000  0.2822  1
  Ge  Ge2  2  0.0000  0.5000  0.4959  1
  Ge  Ge3  1  0.0000  0.0000  0.2133  1
  Ge  Ge4  1  0.5000  0.5000  0.7876  1
  Au  Au5  2  0.0000  0.5000  0.0015  1
]