data_[Pr12Ir2Pd4]
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 [P2_1/c]
_cell_length_a [6.8421]
_cell_length_b [7.6008]
_cell_length_c [12.3066]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.4398]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pr6IrPd2]
_chemical_formula_sum '[Pr12 Ir2 Pd4]'
_cell_volume [551.7914]
_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  0.0969  0.6837  0.9312  1
  Pr  Pr1  4  0.2554  0.1755  0.9262  1
  Pr  Pr2  4  0.4045  0.5437  0.7474  1
  Pd  Pd3  4  0.1719  0.6155  0.2324  1
  Ir  Ir4  2  0.5000  0.0000  0.5000  1
]