data_[Li4Ac4Ge6]
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 [C2/m]
_cell_length_a [10.9767]
_cell_length_b [4.5542]
_cell_length_c [7.1350]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6402]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Ac2Ge3]
_chemical_formula_sum '[Li4 Ac4 Ge6]'
_cell_volume [333.7797]
_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
[
  Li  Li0  4  0.1572  0.0000  0.2992  1
  Ac  Ac1  4  0.1448  0.0000  0.7773  1
  Ge  Ge2  4  0.0940  0.5000  0.4356  1
  Ge  Ge3  2  0.0000  0.5000  0.0000  1
]