data_[La6Cu45Pd6]
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 [R-3m]
_cell_length_a [8.7464]
_cell_length_b [8.7464]
_cell_length_c [12.5694]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [La2Cu15Pd2]
_chemical_formula_sum '[La6 Cu45 Pd6]'
_cell_volume [832.7301]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3369  1.0
  Cu  Cu1  18  0.0000  0.2912  0.0000  1.0
  Cu  Cu2  18  0.0021  0.5011  0.1546  1.0
  Cu  Cu3  9  0.0000  0.5000  0.5000  1.0
  Pd  Pd4  6  0.0000  0.0000  0.1050  1.0
]