data_[La3Pd6Au27]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [5.5505]
_cell_length_b [5.5505]
_cell_length_c [27.0990]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [LaPd2Au9]
_chemical_formula_sum '[La3 Pd6 Au27]'
_cell_volume [723.0064]
_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
[
  La  La0  3  0.0000  0.0000  0.0000  1
  Pd  Pd1  6  0.0000  0.0000  0.1535  1
  Au  Au2  18  0.0056  0.5028  0.9132  1
  Au  Au3  6  0.0000  0.0000  0.3340  1
  Au  Au4  3  -0.0000  -0.0000  0.5000  1
]