data_[Ce12Pu4Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pu  1.2800  1.7500  0.9675
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.1074]
_cell_length_b [6.1336]
_cell_length_c [10.6599]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.7353]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ce3PuIr]
_chemical_formula_sum '[Ce12 Pu4 Ir4]'
_cell_volume [461.5020]
_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
[
  Ce  Ce0  4  0.1476  0.5439  0.7742  1
  Ce  Ce1  4  0.2411  0.0797  0.9268  1
  Ce  Ce2  4  0.3465  0.6343  0.1018  1
  Pu  Pu3  4  0.0268  0.6789  0.9762  1
  Ir  Ir4  4  0.4417  0.1847  0.1554  1
]