data_[Li24Pt3Pb18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pt  2.2800  1.3500  0.8050
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [8.2320]
_cell_length_b [8.2320]
_cell_length_c [16.5087]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li8PtPb6]
_chemical_formula_sum '[Li24 Pt3 Pb18]'
_cell_volume [968.8401]
_cell_formula_units_Z [3]
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  18  0.0374  0.2526  0.9016  1
  Li  Li1  6  0.0000  0.0000  0.2652  1
  Pt  Pt2  3  0.0000  0.0000  0.0000  1
  Pb  Pb3  18  0.0217  0.2563  0.4080  1
]