data_[Ac8Al2Ge10]
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 [I4]
_cell_length_a [9.4816]
_cell_length_b [9.4816]
_cell_length_c [6.6021]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [Ac4AlGe5]
_chemical_formula_sum '[Ac8 Al2 Ge10]'
_cell_volume [593.5403]
_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  8  0.0683  0.3066  0.5291  1
  Al  Al1  2  0.0000  0.0000  0.8255  1
  Ge  Ge2  8  0.0859  0.2293  0.0312  1
  Ge  Ge3  2  0.0000  0.0000  0.4231  1
]