data_[Ac8Pd12Au16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [5.9618]
_cell_length_b [15.9122]
_cell_length_c [8.4222]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Ac2Pd3Au4]
_chemical_formula_sum '[Ac8 Pd12 Au16]'
_cell_volume [798.9762]
_cell_formula_units_Z [4]
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
[
  Ac  Ac0  8  0.0000  0.1202  0.4194  1
  Pd  Pd1  8  0.2500  0.2316  0.7500  1
  Pd  Pd2  4  0.0000  0.0000  0.0000  1
  Au  Au3  8  0.0000  0.1782  0.0201  1
  Au  Au4  8  0.2500  0.0524  0.7500  1
]