data_[Li16Cd4Pd2]
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 [12.6611]
_cell_length_b [5.2577]
_cell_length_c [6.3639]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6280]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li8Cd2Pd]
_chemical_formula_sum '[Li16 Cd4 Pd2]'
_cell_volume [401.4376]
_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  0.0649  0.2509  0.3706  1.0
  Li  Li1  4  0.1114  0.5000  0.9834  1.0
  Li  Li2  4  0.2381  0.0000  0.2802  1.0
  Cd  Cd3  4  0.1601  0.0000  0.7875  1.0
  Pd  Pd4  2  0.0000  0.0000  0.0000  1.0
]