data_[Zn2Pd2Au2]
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 [P2_1/m]
_cell_length_a [2.8721]
_cell_length_b [4.1702]
_cell_length_c [8.0825]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7899]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ZnPdAu]
_chemical_formula_sum '[Zn2 Pd2 Au2]'
_cell_volume [95.3964]
_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  0.0408  0.7500  0.5901  1.0
  Pd  Pd1  2  0.4012  0.7500  0.2935  1.0
  Au  Au2  2  0.2080  0.7500  0.9143  1.0
]