data_[Pu12Sb6P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Sb  2.0500  1.4500  0.8300
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.4931]
_cell_length_b [6.2957]
_cell_length_c [10.0024]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8737]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu6Sb3P]
_chemical_formula_sum '[Pu12 Sb6 P2]'
_cell_volume [502.9738]
_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  0.1823  0.2428  0.3382  1
  Pu  Pu1  4  0.2475  0.5000  0.1662  1
  Sb  Sb2  4  0.1257  0.5000  0.8342  1
  Sb  Sb3  2  0.0000  0.0000  0.0000  1
  P  P4  2  0.0000  0.0000  0.5000  1
]