data_[Pr27Rh18]
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 [R-3]
_cell_length_a [8.9761]
_cell_length_b [8.9761]
_cell_length_c [16.9289]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pr3Rh2]
_chemical_formula_sum '[Pr27 Rh18]'
_cell_volume [1181.2360]
_cell_formula_units_Z [9]
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  0.0163  0.7572  0.5930  1.0
  Pr  Pr1  6  0.0000  0.0000  0.2037  1.0
  Pr  Pr2  3  0.0000  0.0000  0.0000  1.0
  Rh  Rh3  18  0.0210  0.4087  0.5697  1.0
]