data_[Pr16Ir8Rh4]
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 [Imma]
_cell_length_a [8.6080]
_cell_length_b [9.4387]
_cell_length_c [9.8339]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Pr4Ir2Rh]
_chemical_formula_sum '[Pr16 Ir8 Rh4]'
_cell_volume [798.9916]
_cell_formula_units_Z [4]
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  8  0.0000  0.0508  0.2179  1
  Pr  Pr1  8  0.2102  0.7500  0.4564  1
  Ir  Ir2  4  0.0000  0.0000  0.5000  1
  Ir  Ir3  4  0.2500  0.2500  0.2500  1
  Rh  Rh4  4  0.0000  0.2500  0.7905  1
]