data_[Zr8Pd20Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [13.9322]
_cell_length_b [7.2502]
_cell_length_c [6.6387]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Zr2Pd5Au2]
_chemical_formula_sum '[Zr8 Pd20 Au8]'
_cell_volume [670.5802]
_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  0.1294  0.0280  0.3509  1
  Pd  Pd1  8  0.0482  0.1683  0.6806  1
  Pd  Pd2  8  0.1474  0.6743  0.1902  1
  Pd  Pd3  4  0.2500  0.1723  0.6722  1
  Au  Au4  4  0.0000  0.0000  0.0296  1
  Au  Au5  4  0.2500  0.5320  0.5186  1
]