data_[Pr36Sm3Cd18]
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
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.6917]
_cell_length_b [11.6917]
_cell_length_c [15.0399]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pr12SmCd6]
_chemical_formula_sum '[Pr36 Sm3 Cd18]'
_cell_volume [1780.4647]
_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
[
  Pr  Pr0  18  0.0413  0.8502  0.8043  1
  Pr  Pr1  18  0.0582  0.2185  0.4103  1
  Sm  Sm2  3  0.0000  0.0000  0.0000  1
  Cd  Cd3  18  0.0347  0.5915  0.7058  1
]