data_[Pu8U2P10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  U  1.3800  1.7500  0.9913
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [8.9252]
_cell_length_b [8.9252]
_cell_length_c [5.6435]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Pu4UP5]
_chemical_formula_sum '[Pu8 U2 P10]'
_cell_volume [449.5603]
_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  8  0.0987  0.6992  0.5000  1
  U  U1  2  0.0000  0.0000  0.0000  1
  P  P2  8  0.0989  0.7041  0.0000  1
  P  P3  2  0.0000  0.0000  0.5000  1
]