data_[Ac20Ge8Au8]
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 [Cmce]
_cell_length_a [16.4598]
_cell_length_b [8.4680]
_cell_length_c [8.3894]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Ac5(GeAu)2]
_chemical_formula_sum '[Ac20 Ge8 Au8]'
_cell_volume [1169.3248]
_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  16  0.1373  0.1718  0.3372  1
  Ac  Ac1  4  0.0000  0.0000  0.0000  1
  Ge  Ge2  8  0.0000  0.1274  0.6278  1
  Au  Au3  8  0.2019  0.0000  0.0000  1
]