data_[Ac16Al4Ge2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Al  1.6100  1.2500  0.6750
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.6367]
_cell_length_b [5.4900]
_cell_length_c [7.4511]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0917]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac8Al2Ge]
_chemical_formula_sum '[Ac16 Al4 Ge2]'
_cell_volume [822.2292]
_cell_formula_units_Z [2]
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  4  0.0237  0.0000  0.7793  1
  Ac  Ac1  4  0.0928  0.5000  0.4532  1
  Ac  Ac2  4  0.1569  0.5000  0.9748  1
  Ac  Ac3  4  0.2125  0.0000  0.3129  1
  Al  Al4  4  0.1853  0.0000  0.7438  1
  Ge  Ge5  2  0.0000  0.5000  0.0000  1
]