data_[Pu4Mg2In2O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Mg  1.3100  1.5000  0.8600
  In  1.7800  1.5500  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [5.2234]
_cell_length_b [5.2234]
_cell_length_c [10.5255]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Pu2MgInO8]
_chemical_formula_sum '[Pu4 Mg2 In2 O16]'
_cell_volume [287.1715]
_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
[
  Pu  Pu0  2  0.0000  0.0000  0.5000  1
  Pu  Pu1  2  0.0000  0.5000  0.7500  1
  Mg  Mg2  2  0.0000  0.0000  0.0000  1
  In  In3  2  0.0000  0.5000  0.2500  1
  O  O4  8  0.2192  0.7379  0.8934  1
  O  O5  8  0.2219  0.2335  0.3583  1
]