data_[Li8Cu4Pd12]
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 [13.2385]
_cell_length_b [5.2799]
_cell_length_c [4.7872]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.4938]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li2CuPd3]
_chemical_formula_sum '[Li8 Cu4 Pd12]'
_cell_volume [333.9912]
_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  0.1646  0.3729  0.5830  1.0
  Cu  Cu1  4  0.0000  0.1230  0.7500  1.0
  Pd  Pd2  8  0.1667  0.1239  0.0771  1.0
  Pd  Pd3  4  0.0000  0.3737  0.2500  1.0
]