data_[Pr20Ir8Pd4]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.8196]
_cell_length_b [12.9554]
_cell_length_c [14.1940]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pr5Ir2Pd]
_chemical_formula_sum '[Pr20 Ir8 Pd4]'
_cell_volume [1070.1520]
_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  0.0556  0.1159  1
  Pr  Pr1  8  0.0000  0.3396  0.0590  1
  Pr  Pr2  4  0.0000  0.2469  0.7500  1
  Ir  Ir3  8  0.0000  0.1541  0.5608  1
  Pd  Pd4  4  0.0000  0.2306  0.2500  1
]