data_[Ac36Ge21Au3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ge  2.0100  1.2500  0.7700
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [16.1221]
_cell_length_b [16.1221]
_cell_length_c [9.6116]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ac12Ge7Au]
_chemical_formula_sum '[Ac36 Ge21 Au3]'
_cell_volume [2163.5582]
_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  0.0220  0.4384  0.3193  1
  Ac  Ac1  18  0.0447  0.1722  0.2721  1
  Ge  Ge2  18  0.0476  0.1839  0.9224  1
  Ge  Ge3  3  0.0000  0.0000  0.5000  1
  Au  Au4  3  0.0000  0.0000  0.0000  1
]