data_[Li4Cu12Ge8]
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/m]
_cell_length_a [11.9941]
_cell_length_b [4.1285]
_cell_length_c [8.4078]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.9658]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiCu3Ge2]
_chemical_formula_sum '[Li4 Cu12 Ge8]'
_cell_volume [356.9916]
_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  0.1480  0.0000  0.0281  1.0
  Cu  Cu1  4  0.0594  0.0000  0.3309  1.0
  Cu  Cu2  4  0.0704  0.5000  0.6881  1.0
  Cu  Cu3  4  0.1947  0.5000  0.5267  1.0
  Ge  Ge4  4  0.0670  0.5000  0.1728  1.0
  Ge  Ge5  4  0.1836  0.0000  0.6966  1.0
]