data_[Zn12Pd2Au2]
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 [11.8827]
_cell_length_b [4.6715]
_cell_length_c [4.8223]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.3125]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zn6PdAu]
_chemical_formula_sum '[Zn12 Pd2 Au2]'
_cell_volume [245.8337]
_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
[
  Zn  Zn0  4  0.1255  0.0000  0.6448  1.0
  Zn  Zn1  4  0.1266  0.5000  0.1008  1.0
  Zn  Zn2  4  0.2456  0.5000  0.7038  1.0
  Pd  Pd3  2  0.0000  0.5000  0.5000  1.0
  Au  Au4  2  0.0000  0.0000  0.0000  1.0
]