data_[Pr36Nd3Cd21]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Nd  1.1400  1.8500  1.2765
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [14.7546]
_cell_length_b [14.7546]
_cell_length_c [10.1626]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pr12NdCd7]
_chemical_formula_sum '[Pr36 Nd3 Cd21]'
_cell_volume [1915.9673]
_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  0.0464  0.2059  0.2410  1.0
  Pr  Pr1  18  0.0508  0.2533  0.5914  1.0
  Nd  Nd2  3  0.0000  0.0000  0.0000  1.0
  Cd  Cd3  18  0.0661  0.2451  0.9202  1.0
  Cd  Cd4  3  0.0000  0.0000  0.5000  1.0
]