data_[Ac6Pt27Au3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.5410]
_cell_length_b [5.5410]
_cell_length_c [26.7690]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ac2Pt9Au]
_chemical_formula_sum '[Ac6 Pt27 Au3]'
_cell_volume [711.7752]
_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  6  0.0000  0.0000  0.1331  1
  Pt  Pt1  18  0.0034  0.5017  0.9175  1
  Pt  Pt2  6  0.0000  0.0000  0.3323  1
  Pt  Pt3  3  -0.0000  -0.0000  0.5000  1
  Au  Au4  3  0.0000  0.0000  0.0000  1
]