data_[Li27Zn3Pd6]
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 [4.9632]
_cell_length_b [4.9632]
_cell_length_c [26.9002]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li9ZnPd2]
_chemical_formula_sum '[Li27 Zn3 Pd6]'
_cell_volume [573.8649]
_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  0.0087  0.6490  0.5780  1
  Li  Li1  6  0.0000  0.0000  0.3357  1
  Li  Li2  3  -0.0000  0.0000  0.5000  1
  Zn  Zn3  3  0.0000  0.0000  0.0000  1
  Pd  Pd4  6  0.0000  0.0000  0.1683  1
]