data_[Zn12Pd20Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.5552]
_cell_length_b [7.1751]
_cell_length_c [10.2289]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.1511]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zn3Pd5Au]
_chemical_formula_sum '[Zn12 Pd20 Au4]'
_cell_volume [621.5554]
_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
[
  Zn  Zn0  4  0.1803  0.5000  0.5196  1
  Zn  Zn1  4  0.2385  0.5000  0.1324  1
  Zn  Zn2  2  0.0000  0.0000  0.0000  1
  Zn  Zn3  2  0.0000  0.0000  0.5000  1
  Pd  Pd4  8  0.2042  0.2117  0.6637  1
  Pd  Pd5  4  0.0000  0.3206  0.0000  1
  Pd  Pd6  4  0.0186  0.5000  0.2971  1
  Pd  Pd7  4  0.2269  0.5000  0.8854  1
  Au  Au8  4  0.0476  0.0000  0.2645  1
]