data_[Sm6Pu2Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Pu  1.2800  1.7500  0.9675
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [12.6434]
_cell_length_b [4.4262]
_cell_length_c [12.9692]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2295]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sm3PuTe6]
_chemical_formula_sum '[Sm6 Pu2 Te12]'
_cell_volume [685.2937]
_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
[
  Sm  Sm0  2  0.1544  0.2500  0.0774  1
  Sm  Sm1  2  0.3185  0.7500  0.4976  1
  Sm  Sm2  2  0.4275  0.2500  0.8336  1
  Pu  Pu3  2  0.0434  0.2500  0.6914  1
  Te  Te4  2  0.0837  0.7500  0.8954  1
  Te  Te5  2  0.1125  0.2500  0.4639  1
  Te  Te6  2  0.1916  0.7500  0.2496  1
  Te  Te7  2  0.2483  0.7500  0.7186  1
  Te  Te8  2  0.3952  0.2500  0.0648  1
  Te  Te9  2  0.4855  0.2500  0.6197  1
]