data_[Li12Cu8Ge12]
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 [Cmcm]
_cell_length_a [4.2538]
_cell_length_b [9.1499]
_cell_length_c [12.7982]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Li3Cu2Ge3]
_chemical_formula_sum '[Li12 Cu8 Ge12]'
_cell_volume [498.1293]
_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  0.0000  0.0853  0.5974  1.0
  Li  Li1  4  0.0000  0.2950  0.7500  1.0
  Cu  Cu2  8  0.0000  0.2193  0.1059  1.0
  Ge  Ge3  8  0.0000  0.3974  0.5672  1.0
  Ge  Ge4  4  0.0000  0.4054  0.2500  1.0
]