data_[Ba4Pu8Si4P16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pu  1.2800  1.7500  0.9675
  Si  1.9000  1.1000  0.5400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0405]
_cell_length_b [14.0145]
_cell_length_c [13.4893]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [BaPu2SiP4]
_chemical_formula_sum '[Ba4 Pu8 Si4 P16]'
_cell_volume [763.8375]
_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
[
  Ba  Ba0  4  0.0000  0.1055  0.7500  1
  Pu  Pu1  8  0.0000  0.3697  0.5525  1
  Si  Si2  4  0.0000  0.1651  0.2500  1
  P  P3  8  0.0000  0.2590  0.1159  1
  P  P4  4  0.0000  0.0000  0.0000  1
  P  P5  4  0.0000  0.4237  0.7500  1
]