data_[Ac36Co3Au18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Co  1.8800  1.3500  0.7683
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [13.6765]
_cell_length_b [13.6765]
_cell_length_c [13.2090]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ac12CoAu6]
_chemical_formula_sum '[Ac36 Co3 Au18]'
_cell_volume [2139.6821]
_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  0.0256  0.8181  0.3933  1
  Ac  Ac1  18  0.0457  0.8519  0.8824  1
  Co  Co2  3  0.0000  0.0000  0.0000  1
  Au  Au3  18  0.0466  0.7724  0.6452  1
]