data_[Li4Pu16Ir12]
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 [I4/mcm]
_cell_length_a [10.8663]
_cell_length_b [10.8663]
_cell_length_c [5.4965]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [LiPu4Ir3]
_chemical_formula_sum '[Li4 Pu16 Ir12]'
_cell_volume [649.0052]
_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
[
  Li  Li0  4  0.0000  0.5000  0.2500  1
  Pu  Pu1  16  0.0820  0.2270  0.5000  1
  Ir  Ir2  8  0.1591  0.3409  0.0000  1
  Ir  Ir3  4  0.0000  0.0000  0.2500  1
]