data_[La6Al4Pd8]
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/m]
_cell_length_a [10.5448]
_cell_length_b [4.3984]
_cell_length_c [8.7684]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.1476]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3(AlPd2)2]
_chemical_formula_sum '[La6 Al4 Pd8]'
_cell_volume [402.5685]
_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
[
  La  La0  4  0.1238  0.5000  0.3850  1
  La  La1  2  0.0000  0.0000  0.0000  1
  Al  Al2  4  0.1790  0.5000  0.7874  1
  Pd  Pd3  4  0.0857  0.0000  0.6416  1
  Pd  Pd4  4  0.2208  0.5000  0.0891  1
]