data_[Li2Sb4Pd16]
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 [Immm]
_cell_length_a [4.2139]
_cell_length_b [7.4403]
_cell_length_c [11.6196]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Li(SbPd4)2]
_chemical_formula_sum '[Li2 Sb4 Pd16]'
_cell_volume [364.2998]
_cell_formula_units_Z [2]
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  2  0.0000  0.5000  0.5000  1
  Sb  Sb1  4  0.0000  0.5000  0.1936  1
  Pd  Pd2  8  0.0000  0.2251  0.3420  1
  Pd  Pd3  4  0.0000  0.0000  0.1377  1
  Pd  Pd4  4  0.0000  0.3028  0.0000  1
]