data_[Pr12Pd2Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Pd  2.2000  1.4000  0.8462
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.1379]
_cell_length_b [4.1897]
_cell_length_c [9.9940]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9900]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6PdRh2]
_chemical_formula_sum '[Pr12 Pd2 Rh4]'
_cell_volume [548.9133]
_cell_formula_units_Z [2]
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  0.0774  0.0000  0.8237  1.0
  Pr  Pr1  4  0.1478  0.5000  0.1516  1.0
  Pr  Pr2  4  0.1545  0.5000  0.5595  1.0
  Pd  Pd3  2  0.0000  0.0000  0.5000  1.0
  Rh  Rh4  4  0.2252  0.5000  0.8834  1.0
]