data_[Li18Cu3Ag36]
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
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.6800]
_cell_length_b [9.6800]
_cell_length_c [12.0437]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li6CuAg12]
_chemical_formula_sum '[Li18 Cu3 Ag36]'
_cell_volume [977.3308]
_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  0.0266  0.5940  0.7069  1.0
  Cu  Cu1  3  0.0000  0.0000  0.0000  1.0
  Ag  Ag2  18  0.0253  0.8420  0.8201  1.0
  Ag  Ag3  18  0.0602  0.2121  0.4100  1.0
]