data_[Li8Cu20Ge12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cu  1.9000  1.3500  0.8200
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.2783]
_cell_length_b [11.8184]
_cell_length_c [5.1466]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.3366]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li2Cu5Ge3]
_chemical_formula_sum '[Li8 Cu20 Ge12]'
_cell_volume [559.7270]
_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  8  0.1235  0.2577  0.1157  1
  Cu  Cu1  8  0.1185  0.1489  0.6393  1
  Cu  Cu2  8  0.2470  0.4658  0.9876  1
  Cu  Cu3  4  0.0000  0.4656  0.2500  1
  Ge  Ge4  8  0.1362  0.3504  0.6106  1
  Ge  Ge5  4  0.0000  0.0417  0.2500  1
]