data_[Ac6Al4Ge8]
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 [12.0314]
_cell_length_b [4.3933]
_cell_length_c [9.0226]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1490]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ac3(AlGe2)2]
_chemical_formula_sum '[Ac6 Al4 Ge8]'
_cell_volume [469.4529]
_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  0.1623  0.5000  0.6686  1
  Ac  Ac1  2  0.0000  0.0000  0.0000  1
  Al  Al2  4  0.1152  0.5000  0.2776  1
  Ge  Ge3  4  0.0628  0.0000  0.3872  1
  Ge  Ge4  4  0.2202  0.5000  0.0568  1
]