data_[Li4Cd12Ag20]
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 [12.2977]
_cell_length_b [7.8726]
_cell_length_c [8.5857]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.5301]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiCd3Ag5]
_chemical_formula_sum '[Li4 Cd12 Ag20]'
_cell_volume [822.0331]
_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  0.1251  0.0000  0.7774  1
  Cd  Cd1  4  0.2091  0.5000  0.5126  1
  Cd  Cd2  4  0.2274  0.5000  0.8790  1
  Cd  Cd3  2  0.0000  0.0000  0.0000  1
  Cd  Cd4  2  0.0000  0.0000  0.5000  1
  Ag  Ag5  8  0.1116  0.1837  0.2924  1
  Ag  Ag6  4  0.0000  0.3313  0.0000  1
  Ag  Ag7  4  0.0185  0.5000  0.6718  1
  Ag  Ag8  4  0.1730  0.5000  0.1821  1
]