data_[Pr36Sb18Rh3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sb  2.0500  1.4500  0.8300
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [13.5971]
_cell_length_b [13.5971]
_cell_length_c [12.6546]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pr12Sb6Rh]
_chemical_formula_sum '[Pr36 Sb18 Rh3]'
_cell_volume [2026.1546]
_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  0.0306  0.1977  0.3901  1
  Pr  Pr1  18  0.0631  0.1980  0.8811  1
  Sb  Sb2  18  0.0466  0.2820  0.6409  1
  Rh  Rh3  3  0.0000  0.0000  0.0000  1
]