data_[Li3Cu4Ge2]
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 [P-3m1]
_cell_length_a [4.1557]
_cell_length_b [4.1557]
_cell_length_c [7.7138]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Li3(Cu2Ge)2]
_chemical_formula_sum '[Li3 Cu4 Ge2]'
_cell_volume [115.3694]
_cell_formula_units_Z [1]
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  2  0.3333  0.6667  0.4375  1.0
  Li  Li1  1  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  2  0.0000  0.0000  0.3309  1.0
  Cu  Cu3  2  0.3333  0.6667  0.1096  1.0
  Ge  Ge4  2  0.3333  0.6667  0.7777  1.0
]