data_[Zn14Pd4Au4]
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 [9.5419]
_cell_length_b [7.9852]
_cell_length_c [4.7231]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.1879]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zn7(PdAu)2]
_chemical_formula_sum '[Zn14 Pd4 Au4]'
_cell_volume [355.2502]
_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  8  0.2352  0.1729  0.2513  1.0
  Zn  Zn1  4  0.0327  0.5000  0.7638  1.0
  Zn  Zn2  2  0.0000  0.0000  0.0000  1.0
  Pd  Pd3  4  0.2432  0.5000  0.2153  1.0
  Au  Au4  4  0.0000  0.1905  0.5000  1.0
]