data_[Pr24Cd18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [14.7246]
_cell_length_b [14.7246]
_cell_length_c [6.7729]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pr4Cd3]
_chemical_formula_sum '[Pr24 Cd18]'
_cell_volume [1271.7211]
_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
[
  Pr  Pr0  18  0.0500  0.8026  0.1758  1.0
  Pr  Pr1  3  0.0000  -0.0000  0.0000  1.0
  Pr  Pr2  3  0.0000  -0.0000  0.5000  1.0
  Cd  Cd3  18  0.0492  0.8167  0.6816  1.0
]