data_[Li39Ge6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.9035]
_cell_length_b [7.9035]
_cell_length_c [18.4117]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Li13Ge2]
_chemical_formula_sum '[Li39 Ge6]'
_cell_volume [996.0124]
_cell_formula_units_Z [3]
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  18  0.0884  0.5442  0.0549  1
  Li  Li1  18  0.0925  0.5463  0.8143  1
  Li  Li2  3  -0.0000  -0.0000  0.5000  1
  Ge  Ge3  6  0.0000  0.0000  0.2643  1
]