data_[Zr20Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.2584]
_cell_length_b [11.0662]
_cell_length_c [5.5203]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.5352]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zr5Au3]
_chemical_formula_sum '[Zr20 Au12]'
_cell_volume [675.7066]
_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
[
  Zr  Zr0  8  0.0802  0.2196  0.0734  1.0
  Zr  Zr1  8  0.2199  0.0792  0.7064  1.0
  Zr  Zr2  4  0.0000  0.4989  0.2500  1.0
  Au  Au3  8  0.1640  0.3351  0.6648  1.0
  Au  Au4  4  0.0000  0.0006  0.7500  1.0
]