data_[Li12Cd4Pd24]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [9.4187]
_cell_length_b [11.5234]
_cell_length_c [5.5152]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Li3CdPd6]
_chemical_formula_sum '[Li12 Cd4 Pd24]'
_cell_volume [598.5967]
_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  8  0.1249  0.1224  0.4184  1
  Li  Li1  4  0.0000  0.4954  0.3437  1
  Cd  Cd2  4  0.0000  0.2881  0.0647  1
  Pd  Pd3  8  0.2289  0.4716  0.6173  1
  Pd  Pd4  8  0.2403  0.2075  0.7932  1
  Pd  Pd5  4  0.0000  0.0681  0.8472  1
  Pd  Pd6  4  0.0000  0.3083  0.5719  1
]