data_[Li18Zn3Pd36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Zn  1.6500  1.3500  0.8800
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.9687]
_cell_length_b [11.9687]
_cell_length_c [6.7366]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li6ZnPd12]
_chemical_formula_sum '[Li18 Zn3 Pd36]'
_cell_volume [835.7269]
_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  0.0333  0.2741  0.3294  1.0
  Zn  Zn1  3  0.0000  0.0000  0.0000  1.0
  Pd  Pd2  18  0.0191  0.1433  0.6670  1.0
  Pd  Pd3  18  0.0695  0.5648  0.6684  1.0
]