data_[Pr3B18Rh36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  B  2.0400  0.8500  0.4100
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [10.2635]
_cell_length_b [10.2635]
_cell_length_c [8.0528]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pr(BRh2)6]
_chemical_formula_sum '[Pr3 B18 Rh36]'
_cell_volume [734.6344]
_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  3  0.0000  0.0000  0.0000  1
  B  B1  18  0.0435  0.5218  0.2886  1
  Rh  Rh2  18  0.0000  0.3666  0.5000  1
  Rh  Rh3  18  0.0882  0.1764  0.3626  1
]