data_[Li36Cu18Pt3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cu  1.9000  1.3500  0.8200
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.2659]
_cell_length_b [9.2659]
_cell_length_c [11.4859]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li12Cu6Pt]
_chemical_formula_sum '[Li36 Cu18 Pt3]'
_cell_volume [854.0271]
_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  0.0343  0.1896  0.8153  1.0
  Li  Li1  18  0.0593  0.8385  0.4137  1.0
  Cu  Cu2  18  0.0309  0.4407  0.6997  1.0
  Pt  Pt3  3  0.0000  0.0000  0.0000  1.0
]