data_[Li2Pd12Pb6]
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 [P2_1/m]
_cell_length_a [8.2297]
_cell_length_b [4.7606]
_cell_length_c [9.8937]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0208]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Li(Pd2Pb)3]
_chemical_formula_sum '[Li2 Pd12 Pb6]'
_cell_volume [366.4513]
_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  2  0.3718  0.7500  0.4408  1
  Pd  Pd1  2  0.0104  0.2500  0.1706  1
  Pd  Pd2  2  0.0182  0.7500  0.3339  1
  Pd  Pd3  2  0.1891  0.7500  0.1340  1
  Pd  Pd4  2  0.2144  0.2500  0.4768  1
  Pd  Pd5  2  0.3806  0.2500  0.2713  1
  Pd  Pd6  2  0.3937  0.7500  0.9279  1
  Pb  Pb7  2  0.1639  0.7500  0.6304  1
  Pb  Pb8  2  0.1945  0.2500  0.9676  1
  Pb  Pb9  2  0.4521  0.2500  0.7623  1
]