data_[Li16Ac16Ge16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ac  1.1000  1.9500  1.2600
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [8.3118]
_cell_length_b [11.5701]
_cell_length_c [13.4255]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [LiAcGe]
_chemical_formula_sum '[Li16 Ac16 Ge16]'
_cell_volume [1291.1162]
_cell_formula_units_Z [16]
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
[
  Li  Li0  16  0.0000  0.1181  0.5000  1
  Ac  Ac1  16  0.1250  0.1250  0.1250  1
  Ge  Ge2  16  0.0000  0.0000  0.3274  1
]