data_[Zr6Ge8Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ge  2.0100  1.2500  0.7700
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [6.2439]
_cell_length_b [6.2439]
_cell_length_c [12.4400]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Zr3(GeAu)4]
_chemical_formula_sum '[Zr6 Ge8 Au8]'
_cell_volume [484.9819]
_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
[
  Zr  Zr0  4  0.0000  0.5000  0.2500  1
  Zr  Zr1  2  0.0000  0.0000  0.0000  1
  Ge  Ge2  4  0.0000  0.0000  0.2534  1
  Ge  Ge3  4  0.0000  0.5000  0.0000  1
  Au  Au4  8  0.2423  0.2423  0.6203  1
]