data_[Li6Pd3Pt3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [2.7707]
_cell_length_b [2.7707]
_cell_length_c [25.2261]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Li2PdPt]
_chemical_formula_sum '[Li6 Pd3 Pt3]'
_cell_volume [167.7119]
_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  0.7498  1.0
  Li  Li1  3  0.0000  0.0000  0.9168  1.0
  Pd  Pd2  3  0.0000  0.0000  0.3334  1.0
  Pt  Pt3  3  0.0000  0.0000  0.4998  1.0
]