data_[Zn3Pd3Au2]
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 [Pmmm]
_cell_length_a [3.8573]
_cell_length_b [4.1008]
_cell_length_c [7.9063]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Zn3Pd3Au2]
_chemical_formula_sum '[Zn3 Pd3 Au2]'
_cell_volume [125.0597]
_cell_formula_units_Z [1]
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  0.5000  0.2657  1.0
  Zn  Zn1  1  0.5000  0.0000  0.0000  1.0
  Pd  Pd2  1  0.0000  0.5000  0.0000  1.0
  Pd  Pd3  1  0.0000  0.5000  0.5000  1.0
  Pd  Pd4  1  0.5000  0.0000  0.5000  1.0
  Au  Au5  2  0.0000  0.0000  0.2444  1.0
]