data_[La4Cu20Pd4]
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 [Pnma]
_cell_length_a [8.2750]
_cell_length_b [5.1077]
_cell_length_c [10.3709]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [LaCu5Pd]
_chemical_formula_sum '[La4 Cu20 Pd4]'
_cell_volume [438.3388]
_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  4  0.2390  0.2500  0.0652  1
  Cu  Cu1  8  0.0655  0.0014  0.3127  1
  Cu  Cu2  4  0.0582  0.7500  0.1054  1
  Cu  Cu3  4  0.0952  0.2500  0.5166  1
  Cu  Cu4  4  0.1842  0.2500  0.7507  1
  Pd  Pd5  4  0.1430  0.7500  0.8590  1
]