data_[Li12Zn4Pd24]
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 [Cmc2_1]
_cell_length_a [7.6387]
_cell_length_b [15.1688]
_cell_length_c [5.0628]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Li3ZnPd6]
_chemical_formula_sum '[Li12 Zn4 Pd24]'
_cell_volume [586.6275]
_cell_formula_units_Z [4]
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  8  0.1850  0.1161  0.9813  1.0
  Li  Li1  4  0.0000  0.4265  0.3767  1.0
  Zn  Zn2  4  0.0000  0.1537  0.4726  1.0
  Pd  Pd3  8  0.1762  0.2719  0.1931  1.0
  Pd  Pd4  8  0.1955  0.4376  0.9458  1.0
  Pd  Pd5  4  0.0000  0.0028  0.7150  1.0
  Pd  Pd6  4  0.0000  0.3022  0.7100  1.0
]