data_[Li4Al16Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Al  1.6100  1.2500  0.6750
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5504]
_cell_length_b [4.2938]
_cell_length_c [7.4849]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9509]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiAl4Pd]
_chemical_formula_sum '[Li4 Al16 Pd4]'
_cell_volume [394.6091]
_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  0.1473  0.0000  0.7206  1.0
  Al  Al1  4  0.0639  0.5000  0.8629  1.0
  Al  Al2  4  0.0736  0.0000  0.3487  1.0
  Al  Al3  4  0.2018  0.5000  0.5487  1.0
  Al  Al4  4  0.2067  0.0000  0.0841  1.0
  Pd  Pd5  2  0.0000  0.0000  0.0000  1.0
  Pd  Pd6  2  0.0000  0.5000  0.5000  1.0
]