data_[Pr6Pd6Au45]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.6366]
_cell_length_b [9.6366]
_cell_length_c [14.2923]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pr2Pd2Au15]
_chemical_formula_sum '[Pr6 Pd6 Au45]'
_cell_volume [1149.4166]
_cell_formula_units_Z [3]
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
[
  Pr  Pr0  6  0.0000  0.0000  0.3196  1.0
  Pd  Pd1  6  0.0000  0.0000  0.1014  1.0
  Au  Au2  18  0.0000  0.2974  0.0000  1.0
  Au  Au3  18  0.0095  0.5048  0.1455  1.0
  Au  Au4  9  0.0000  0.5000  0.5000  1.0
]