data_[Pr12Ir4Rh2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ir  2.2000  1.3500  0.7650
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.9666]
_cell_length_b [7.4645]
_cell_length_c [12.0625]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.4718]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pr6Ir2Rh]
_chemical_formula_sum '[Pr12 Ir4 Rh2]'
_cell_volume [540.6340]
_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  0.1017  0.1820  0.4332  1.0
  Pr  Pr1  4  0.2376  0.6779  0.4162  1.0
  Pr  Pr2  4  0.4185  0.0579  0.2486  1.0
  Ir  Ir3  4  0.1747  0.1113  0.7220  1.0
  Rh  Rh4  2  0.5000  0.0000  0.5000  1.0
]