data_[Pu4U8As16]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0764]
_cell_length_b [15.2533]
_cell_length_c [11.5845]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pu(UAs2)2]
_chemical_formula_sum '[Pu4 U8 As16]'
_cell_volume [720.3097]
_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
[
  Pu  Pu0  4  0.0000  0.4609  0.2500  1
  U  U1  8  0.0000  0.1309  0.0137  1
  As  As2  8  0.0000  0.2916  0.1233  1
  As  As3  4  0.0000  0.0962  0.2500  1
  As  As4  4  0.0000  0.5000  0.0000  1
]