data_[Li18Ag36Pt3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ag  1.9300  1.6000  1.0867
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.6256]
_cell_length_b [9.6256]
_cell_length_c [12.1893]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li6Ag12Pt]
_chemical_formula_sum '[Li18 Ag36 Pt3]'
_cell_volume [978.0509]
_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  0.0327  0.5932  0.7046  1.0
  Ag  Ag1  18  0.0248  0.8396  0.8147  1.0
  Ag  Ag2  18  0.0621  0.2122  0.4108  1.0
  Pt  Pt3  3  0.0000  0.0000  0.0000  1.0
]