data_[Li18Si6Pd36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Si  1.9000  1.1000  0.5400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.4810]
_cell_length_b [9.4810]
_cell_length_c [12.1214]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li3SiPd6]
_chemical_formula_sum '[Li18 Si6 Pd36]'
_cell_volume [943.5985]
_cell_formula_units_Z [6]
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  0.0426  0.8466  0.8000  1.0
  Si  Si1  3  -0.0000  0.0000  0.5000  1.0
  Si  Si2  3  0.0000  0.0000  0.0000  1.0
  Pd  Pd3  18  0.0524  0.5928  0.7160  1.0
  Pd  Pd4  18  0.0686  0.2463  0.4155  1.0
]