data_[Li12Cu8Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.9962]
_cell_length_b [8.8576]
_cell_length_c [4.7595]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.6740]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li3(CuPd2)2]
_chemical_formula_sum '[Li12 Cu8 Pd16]'
_cell_volume [501.2034]
_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  0.1061  0.0688  0.4702  1.0
  Li  Li1  4  0.0000  0.4957  0.2500  1.0
  Cu  Cu2  8  0.2462  0.3844  0.0933  1.0
  Pd  Pd3  8  0.0615  0.2374  0.0171  1.0
  Pd  Pd4  8  0.1652  0.3467  0.5658  1.0
]