data_[Li36Sn18Pt3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sn  1.9600  1.4500  0.8300
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.0246]
_cell_length_b [10.0246]
_cell_length_c [12.8989]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li12Sn6Pt]
_chemical_formula_sum '[Li36 Sn18 Pt3]'
_cell_volume [1122.5825]
_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  0.0425  0.8562  0.8240  1
  Li  Li1  18  0.0669  0.2334  0.4151  1
  Sn  Sn2  18  0.0214  0.5853  0.7128  1
  Pt  Pt3  3  0.0000  0.0000  0.0000  1
]