data_[La16Al4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Al  1.6100  1.2500  0.6750
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.9496]
_cell_length_b [14.4797]
_cell_length_c [6.0186]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.4790]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La4AlPd]
_chemical_formula_sum '[La16 Al4 Pd4]'
_cell_volume [715.3572]
_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
[
  La  La0  8  0.1173  0.1925  0.0748  1.0
  La  La1  8  0.2064  0.4261  0.3423  1.0
  Al  Al2  4  0.0000  0.3805  0.7500  1.0
  Pd  Pd3  4  0.0000  0.0034  0.7500  1.0
]