data_[La6Cd6Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Cd  1.6900  1.5500  1.0900
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [13.6455]
_cell_length_b [4.1073]
_cell_length_c [7.8639]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [LaCdPd]
_chemical_formula_sum '[La6 Cd6 Pd6]'
_cell_volume [440.7379]
_cell_formula_units_Z [6]
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  0.0454  0.0000  0.7626  1
  La  La1  2  0.2500  0.0000  0.1518  1
  Cd  Cd2  4  0.1197  0.5000  0.4338  1
  Cd  Cd3  2  0.2500  0.5000  0.7972  1
  Pd  Pd4  4  0.0971  0.5000  0.0612  1
  Pd  Pd5  2  0.2500  0.0000  0.5514  1
]