data_[Li18Ag36Pd3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ag  1.9300  1.6000  1.0867
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.6495]
_cell_length_b [9.6495]
_cell_length_c [12.1682]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li6Ag12Pd]
_chemical_formula_sum '[Li18 Ag36 Pd3]'
_cell_volume [981.2139]
_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  0.0308  0.4381  0.7052  1.0
  Ag  Ag1  18  0.0255  0.1849  0.8148  1.0
  Ag  Ag2  18  0.0620  0.8489  0.4112  1.0
  Pd  Pd3  3  0.0000  0.0000  0.0000  1.0
]