data_[Li4Sb12Pd20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sb  2.0500  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [6.7323]
_cell_length_b [6.7323]
_cell_length_c [15.1971]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [LiSb3Pd5]
_chemical_formula_sum '[Li4 Sb12 Pd20]'
_cell_volume [688.7929]
_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  4  0.0000  0.5000  0.2500  1
  Sb  Sb1  8  0.1443  0.3557  0.0000  1
  Sb  Sb2  4  0.0000  0.0000  0.2500  1
  Pd  Pd3  16  0.2466  0.2534  0.3421  1
  Pd  Pd4  4  0.0000  0.0000  0.0000  1
]