data_[Li3Ag4Ge2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ag  1.9300  1.6000  1.0867
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.5174]
_cell_length_b [4.5174]
_cell_length_c [8.3005]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Li3(Ag2Ge)2]
_chemical_formula_sum '[Li3 Ag4 Ge2]'
_cell_volume [146.6915]
_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  0.4328  1
  Li  Li1  1  0.0000  0.0000  0.0000  1
  Ag  Ag2  2  0.0000  0.0000  0.3285  1
  Ag  Ag3  2  0.3333  0.6667  0.0992  1
  Ge  Ge4  2  0.3333  0.6667  0.7647  1
]