data_[Pd4Pb4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pd  2.2000  1.4000  0.8462
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.1879]
_cell_length_b [4.9161]
_cell_length_c [5.5881]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7835]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PdPbAu]
_chemical_formula_sum '[Pd4 Pb4 Au4]'
_cell_volume [247.0882]
_cell_formula_units_Z [4]
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
[
  Pd  Pd0  4  0.2162  0.0000  0.8339  1
  Pb  Pb1  4  0.1357  0.0000  0.3048  1
  Au  Au2  4  0.0400  0.5000  0.7606  1
]