data_[Pr24Ir12Au4]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.1735]
_cell_length_b [14.3584]
_cell_length_c [7.4290]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr6Ir3Au]
_chemical_formula_sum '[Pr24 Ir12 Au4]'
_cell_volume [1191.8600]
_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  0.1668  0.4718  0.8293  1.0
  Pr  Pr1  8  0.1744  0.2772  0.2823  1.0
  Pr  Pr2  4  0.0000  0.0140  0.2295  1.0
  Pr  Pr3  4  0.0000  0.2289  0.8861  1.0
  Ir  Ir4  8  0.1857  0.1110  0.0301  1.0
  Ir  Ir5  4  0.0000  0.3994  0.1106  1.0
  Au  Au6  4  0.0000  0.1668  0.5050  1.0
]