data_[Pr36Sc3Cd18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sc  1.3600  1.6000  0.8850
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.5958]
_cell_length_b [11.5958]
_cell_length_c [14.9955]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pr12ScCd6]
_chemical_formula_sum '[Pr36 Sc3 Cd18]'
_cell_volume [1746.2012]
_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  0.0397  0.8489  0.8072  1.0
  Pr  Pr1  18  0.0594  0.2167  0.4084  1.0
  Sc  Sc2  3  0.0000  0.0000  0.0000  1.0
  Cd  Cd3  18  0.0426  0.5938  0.7050  1.0
]