data_[Pr12Sm12Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9890]
_cell_length_b [12.9868]
_cell_length_c [18.6385]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pr3Sm3Pd2]
_chemical_formula_sum '[Pr12 Sm12 Pd8]'
_cell_volume [965.5632]
_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
[
  Pr  Pr0  8  0.0000  0.0550  0.6081  1
  Pr  Pr1  4  0.0000  0.3574  0.7500  1
  Sm  Sm2  8  0.0000  0.3484  0.5408  1
  Sm  Sm3  4  0.0000  0.3738  0.2500  1
  Pd  Pd4  8  0.0000  0.2416  0.1285  1
]