data_[Ac36Rh3Au18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Rh  2.2800  1.3500  0.7450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [13.7601]
_cell_length_b [13.7601]
_cell_length_c [13.2678]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ac12RhAu6]
_chemical_formula_sum '[Ac36 Rh3 Au18]'
_cell_volume [2175.5699]
_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
[
  Ac  Ac0  18  0.0258  0.2063  0.3922  1
  Ac  Ac1  18  0.0417  0.1976  0.8810  1
  Rh  Rh2  3  0.0000  0.0000  0.0000  1
  Au  Au3  18  0.0454  0.2719  0.6464  1
]