data_[Li3P9Pt36Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  P  2.1900  1.0000  0.5500
  Pt  2.2800  1.3500  0.8050
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.1377]
_cell_length_b [8.1377]
_cell_length_c [17.5808]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [LiP3(Pt6Pb)2]
_chemical_formula_sum '[Li3 P9 Pt36 Pb6]'
_cell_volume [1008.2614]
_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  3  0.0000  0.0000  0.0000  1
  P  P1  9  0.0000  0.5000  0.5000  1
  Pt  Pt2  18  0.0030  0.5015  0.3708  1
  Pt  Pt3  18  0.0225  0.5113  0.8681  1
  Pb  Pb4  6  0.0000  0.0000  0.3858  1
]