data_[Li21Ag36Ge3]
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 [R-3]
_cell_length_a [10.0885]
_cell_length_b [10.0885]
_cell_length_c [12.4180]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li7Ag12Ge]
_chemical_formula_sum '[Li21 Ag36 Ge3]'
_cell_volume [1094.5463]
_cell_formula_units_Z [3]
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  18  0.0253  0.1897  0.8116  1.0
  Li  Li1  3  -0.0000  0.0000  0.5000  1.0
  Ag  Ag2  18  0.0259  0.4473  0.7005  1.0
  Ag  Ag3  18  0.0753  0.8215  0.4197  1.0
  Ge  Ge4  3  0.0000  0.0000  0.0000  1.0
]