data_[Pu8Cu4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.8716]
_cell_length_b [4.3334]
_cell_length_c [17.3589]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Pu2CuTe3]
_chemical_formula_sum '[Pu8 Cu4 Te12]'
_cell_volume [667.3460]
_cell_formula_units_Z [4]
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  0.0919  0.7500  0.2882  1
  Pu  Pu1  4  0.2329  0.2500  0.0324  1
  Cu  Cu2  4  0.1310  0.7500  0.8661  1
  Te  Te3  4  0.0163  0.7500  0.1030  1
  Te  Te4  4  0.1062  0.2500  0.4307  1
  Te  Te5  4  0.1813  0.7500  0.7170  1
]