data_[Pr36Tl18Rh3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Tl  1.6200  1.9000  1.3325
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.6391]
_cell_length_b [12.6391]
_cell_length_c [13.8774]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pr12Tl6Rh]
_chemical_formula_sum '[Pr36 Tl18 Rh3]'
_cell_volume [1919.8729]
_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  0.0370  0.8459  0.3897  1
  Pr  Pr1  18  0.0386  0.1921  0.8749  1
  Tl  Tl2  18  0.0063  0.6056  0.2604  1
  Rh  Rh3  3  0.0000  0.0000  0.0000  1
]