data_[Pd2Au13]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0633]
_cell_length_b [7.2165]
_cell_length_c [7.7522]
_cell_angle_alpha [71.0665]
_cell_angle_beta [83.4717]
_cell_angle_gamma [88.6255]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Pd2Au13]
_chemical_formula_sum '[Pd2 Au13]'
_cell_volume [266.1722]
_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
[
  Pd  Pd0  2  0.0673  0.1340  0.6002  1.0
  Au  Au1  2  0.1323  0.2610  0.2063  1.0
  Au  Au2  2  0.1988  0.3983  0.8000  1.0
  Au  Au3  2  0.2645  0.5320  0.4010  1.0
  Au  Au4  2  0.3334  0.6660  0.9987  1.0
  Au  Au5  2  0.3963  0.8033  0.5964  1.0
  Au  Au6  2  0.4662  0.9319  0.2019  1.0
  Au  Au7  1  0.0000  0.0000  0.0000  1.0
]