data_[Pd10Rh2Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pd  2.2000  1.4000  0.8462
  Rh  2.2800  1.3500  0.7450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.0288]
_cell_length_b [8.0769]
_cell_length_c [12.2062]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Pd5RhAu6]
_chemical_formula_sum '[Pd10 Rh2 Au12]'
_cell_volume [397.1895]
_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  0.0000  0.3325  1
  Pd  Pd1  4  0.0000  0.5000  0.3361  1
  Pd  Pd2  2  0.0000  0.5000  0.0000  1
  Rh  Rh3  2  0.0000  0.0000  0.0000  1
  Au  Au4  8  0.0000  0.2500  0.1665  1
  Au  Au5  4  0.0000  0.2495  0.5000  1
]