data_[Li12Ce4Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ce  1.1200  1.8500  1.0800
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.6101]
_cell_length_b [4.2975]
_cell_length_c [7.6211]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.0907]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3CeGe2]
_chemical_formula_sum '[Li12 Ce4 Ge8]'
_cell_volume [455.1674]
_cell_formula_units_Z [4]
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  0.0503  0.0000  0.3874  1.0
  Li  Li1  4  0.1077  0.5000  0.6984  1.0
  Li  Li2  4  0.1911  0.5000  0.4652  1.0
  Ce  Ce3  4  0.1415  0.0000  0.0573  1.0
  Ge  Ge4  4  0.0185  0.5000  0.1743  1.0
  Ge  Ge5  4  0.2071  0.0000  0.7336  1.0
]