data_[Li4Pd16Pb2]
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 [14.1422]
_cell_length_b [4.0923]
_cell_length_c [6.2280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0144]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Pd8Pb]
_chemical_formula_sum '[Li4 Pd16 Pb2]'
_cell_volume [346.4577]
_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  0.2261  0.0000  0.6453  1.0
  Pd  Pd1  4  0.0481  0.0000  0.7239  1.0
  Pd  Pd2  4  0.0971  0.5000  0.4658  1.0
  Pd  Pd3  4  0.1451  0.0000  0.2031  1.0
  Pd  Pd4  4  0.1843  0.5000  0.9181  1.0
  Pb  Pb5  2  0.0000  0.5000  0.0000  1.0
]