data_[La8Cu12Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [5.5489]
_cell_length_b [15.3535]
_cell_length_c [7.7827]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [La2Cu3Pd4]
_chemical_formula_sum '[La8 Cu12 Pd16]'
_cell_volume [663.0525]
_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  0.0000  0.1141  0.4198  1
  Cu  Cu1  8  0.2500  0.2331  0.7500  1
  Cu  Cu2  4  0.0000  0.0000  0.0000  1
  Pd  Pd3  8  0.0000  0.1737  0.0161  1
  Pd  Pd4  8  0.2500  0.0623  0.7500  1
]