data_[Pu4Sc2U6P12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Sc  1.3600  1.6000  0.8850
  U  1.3800  1.7500  0.9913
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.7562]
_cell_length_b [11.7004]
_cell_length_c [6.8447]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2344]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu2Sc(UP2)3]
_chemical_formula_sum '[Pu4 Sc2 U6 P12]'
_cell_volume [510.8660]
_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  0.0000  0.3338  0.0000  1
  Sc  Sc1  2  0.0000  0.0000  0.0000  1
  U  U2  4  0.0000  0.1681  0.5000  1
  U  U3  2  0.0000  0.5000  0.5000  1
  P  P4  8  0.2461  0.1634  0.2487  1
  P  P5  4  0.2430  0.0000  0.7491  1
]