data_[Pd10Au12]
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 [C2/m]
_cell_length_a [8.2011]
_cell_length_b [10.7047]
_cell_length_c [4.7851]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.8163]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pd5Au6]
_chemical_formula_sum '[Pd10 Au12]'
_cell_volume [384.3142]
_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
[
  Pd  Pd0  4  0.0000  0.2276  0.5000  1.0
  Pd  Pd1  4  0.0000  0.3673  0.0000  1.0
  Pd  Pd2  2  0.0000  0.5000  0.5000  1.0
  Au  Au3  8  0.1899  0.1424  0.1385  1.0
  Au  Au4  4  0.1913  0.0000  0.6377  1.0
]