data_[Pr18Rh12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.1472]
_cell_length_b [4.3521]
_cell_length_c [10.9003]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.5927]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3Rh2]
_chemical_formula_sum '[Pr18 Rh12]'
_cell_volume [853.3320]
_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  4  0.0372  0.5000  0.6599  1.0
  Pr  Pr1  4  0.1246  0.0000  0.2788  1.0
  Pr  Pr2  4  0.1729  0.0000  0.9544  1.0
  Pr  Pr3  4  0.2080  0.0000  0.6196  1.0
  Pr  Pr4  2  0.0000  0.5000  0.0000  1.0
  Rh  Rh5  4  0.0284  0.0000  0.8252  1.0
  Rh  Rh6  4  0.1393  0.5000  0.4673  1.0
  Rh  Rh7  4  0.1787  0.5000  0.1330  1.0
]