data_[Ho4Pu4Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Pu  1.2800  1.7500  0.9675
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [5.6042]
_cell_length_b [5.6106]
_cell_length_c [11.1379]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6450]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [HoPuIr2]
_chemical_formula_sum '[Ho4 Pu4 Ir8]'
_cell_volume [338.8310]
_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
[
  Ho  Ho0  4  0.1976  0.1231  0.6460  1
  Pu  Pu1  4  0.3026  0.3774  0.3578  1
  Ir  Ir2  4  0.1697  0.3775  0.0924  1
  Ir  Ir3  4  0.3313  0.1267  0.9151  1
]