data_[Li3Pu9Ir24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pu  1.2800  1.7500  0.9675
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.3179]
_cell_length_b [5.3179]
_cell_length_c [26.0282]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [LiPu3Ir8]
_chemical_formula_sum '[Li3 Pu9 Ir24]'
_cell_volume [637.4681]
_cell_formula_units_Z [3]
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
[
  Li  Li0  3  0.0000  0.0000  0.1283  1
  Pu  Pu1  3  0.0000  0.0000  0.0046  1
  Pu  Pu2  3  0.0000  0.0000  0.4959  1
  Pu  Pu3  3  0.0000  0.0000  0.6231  1
  Ir  Ir4  9  0.0003  0.5001  0.5621  1
  Ir  Ir5  9  0.1676  0.3351  0.3959  1
  Ir  Ir6  3  0.0000  0.0000  0.3122  1
  Ir  Ir7  3  0.0000  0.0000  0.8121  1
]