data_[Pu8As6H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  As  2.1800  1.1500  0.6600
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.3728]
_cell_length_b [3.9173]
_cell_length_c [6.8956]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.6663]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu4As3H2]
_chemical_formula_sum '[Pu8 As6 H4]'
_cell_volume [360.8109]
_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  4  0.0152  0.5000  0.7175  1
  Pu  Pu1  4  0.2157  0.0000  0.2029  1
  As  As2  4  0.1366  0.0000  0.5616  1
  As  As3  2  0.0000  0.0000  0.0000  1
  H  H4  4  0.1796  0.5000  0.9887  1
]