data_[Li12Pd4Pb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pd  2.2000  1.4000  0.8462
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.1361]
_cell_length_b [9.7050]
_cell_length_c [6.4480]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2217]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3PdPb3]
_chemical_formula_sum '[Li12 Pd4 Pb12]'
_cell_volume [634.2883]
_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  4  0.0000  0.2614  0.5000  1
  Li  Li1  4  0.0000  0.3485  0.0000  1
  Li  Li2  4  0.2239  0.5000  0.4921  1
  Pd  Pd3  4  0.2335  0.5000  0.0060  1
  Pb  Pb4  8  0.2499  0.2475  0.2458  1
  Pb  Pb5  4  0.0006  0.0000  0.2421  1
]