data_[Li4Cd20Ag12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cd  1.6900  1.5500  1.0900
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.3048]
_cell_length_b [10.1265]
_cell_length_c [8.6980]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1437]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiCd5Ag3]
_chemical_formula_sum '[Li4 Cd20 Ag12]'
_cell_volume [867.3184]
_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  0.2478  0.0000  0.2514  1
  Cd  Cd1  8  0.0946  0.2570  0.3843  1
  Cd  Cd2  4  0.0000  0.2652  0.0000  1
  Cd  Cd3  4  0.2376  0.0000  0.5754  1
  Cd  Cd4  4  0.2478  0.5000  0.0752  1
  Ag  Ag5  4  0.0011  0.5000  0.8227  1
  Ag  Ag6  4  0.0038  0.0000  0.6795  1
  Ag  Ag7  2  0.0000  0.0000  0.0000  1
  Ag  Ag8  2  0.0000  0.5000  0.5000  1
]