data_[Zr4Cd8Au24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Cd  1.6900  1.5500  1.0900
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.5653]
_cell_length_b [10.3113]
_cell_length_c [5.0576]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.4501]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zr(CdAu3)2]
_chemical_formula_sum '[Zr4 Cd8 Au24]'
_cell_volume [695.7024]
_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  4  0.0000  0.1370  0.2500  1
  Cd  Cd1  8  0.1672  0.3714  0.0830  1
  Au  Au2  8  0.0566  0.3760  0.5305  1
  Au  Au3  8  0.1079  0.1127  0.8024  1
  Au  Au4  8  0.2205  0.1288  0.3605  1
]