data_[Pu2Sb6Te12]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [13.0174]
_cell_length_b [4.2678]
_cell_length_c [13.1771]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0425]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pu(SbTe2)3]
_chemical_formula_sum '[Pu2 Sb6 Te12]'
_cell_volume [691.9974]
_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  2  0.3091  0.7500  0.9621  1
  Sb  Sb1  2  0.1033  0.2500  0.1468  1
  Sb  Sb2  2  0.1556  0.7500  0.5602  1
  Sb  Sb3  2  0.4552  0.2500  0.6979  1
  Te  Te4  2  0.0759  0.2500  0.3977  1
  Te  Te5  2  0.1097  0.2500  0.9293  1
  Te  Te6  2  0.2613  0.2500  0.7602  1
  Te  Te7  2  0.2661  0.7500  0.1980  1
  Te  Te8  2  0.3745  0.7500  0.5311  1
  Te  Te9  2  0.4712  0.2500  0.1064  1
]