data_[Li12Cd10Pd2]
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 [14.6272]
_cell_length_b [6.3078]
_cell_length_c [4.6967]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7531]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li6Cd5Pd]
_chemical_formula_sum '[Li12 Cd10 Pd2]'
_cell_volume [417.0692]
_cell_formula_units_Z [2]
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  0.1595  0.2399  0.1600  1.0
  Li  Li1  4  0.0000  0.2317  0.5000  1.0
  Cd  Cd2  4  0.1653  0.5000  0.6648  1.0
  Cd  Cd3  4  0.1656  0.0000  0.6691  1.0
  Cd  Cd4  2  0.0000  0.5000  0.0000  1.0
  Pd  Pd5  2  0.0000  0.0000  0.0000  1.0
]