data_[Li14Ac6Ge8]
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 [17.3998]
_cell_length_b [4.7339]
_cell_length_c [8.7753]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.9210]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li7Ac3Ge4]
_chemical_formula_sum '[Li14 Ac6 Ge8]'
_cell_volume [626.4767]
_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  0.0133  0.5000  0.2039  1
  Li  Li1  4  0.1388  0.0000  0.9388  1
  Li  Li2  4  0.1633  0.5000  0.5086  1
  Li  Li3  2  0.0000  0.0000  0.0000  1
  Ac  Ac4  4  0.2268  0.5000  0.2202  1
  Ac  Ac5  2  0.0000  0.0000  0.5000  1
  Ge  Ge6  4  0.1303  0.0000  0.3193  1
  Ge  Ge7  4  0.1377  0.5000  0.7860  1
]