data_[Zn2Pd28Au2]
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 [Amm2]
_cell_length_a [9.1907]
_cell_length_b [5.5696]
_cell_length_c [9.6556]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [ZnPd14Au]
_chemical_formula_sum '[Zn2 Pd28 Au2]'
_cell_volume [494.2622]
_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  2  0.5000  0.0000  0.4589  1
  Pd  Pd1  8  0.2511  0.2477  0.3749  1
  Pd  Pd2  4  0.0000  0.2493  0.5410  1
  Pd  Pd3  4  0.2479  0.0000  0.1255  1
  Pd  Pd4  4  0.2529  0.0000  0.6237  1
  Pd  Pd5  4  0.5000  0.2490  0.2094  1
  Pd  Pd6  2  0.0000  0.0000  0.2913  1
  Pd  Pd7  2  0.0000  0.0000  0.7910  1
  Au  Au8  2  0.5000  0.0000  0.9600  1
]