data_[Li12Cd4Pd4]
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 [C2/m]
_cell_length_a [13.1824]
_cell_length_b [4.4904]
_cell_length_c [5.5146]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.7749]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3CdPd]
_chemical_formula_sum '[Li12 Cd4 Pd4]'
_cell_volume [320.6789]
_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  0.0059  0.0000  0.2651  1
  Li  Li1  4  0.1214  0.5000  0.4502  1
  Li  Li2  4  0.2042  0.0000  0.1926  1
  Cd  Cd3  4  0.1076  0.5000  0.9392  1
  Pd  Pd4  4  0.1910  0.0000  0.6820  1
]