data_[Li10Cd2Pd12]
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 [4.8994]
_cell_length_b [8.5180]
_cell_length_c [8.7341]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.2504]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li5CdPd6]
_chemical_formula_sum '[Li10 Cd2 Pd12]'
_cell_volume [357.4993]
_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  4  0.0000  0.1650  0.5000  1.0
  Li  Li1  4  0.0000  0.3327  0.0000  1.0
  Li  Li2  2  0.0000  0.5000  0.5000  1.0
  Cd  Cd3  2  0.0000  0.0000  0.0000  1.0
  Pd  Pd4  8  0.2448  0.3313  0.7430  1.0
  Pd  Pd5  4  0.2481  0.5000  0.2558  1.0
]