data_[Na6Pu6Cu2Te16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [C2/m]
_cell_length_a [15.0643]
_cell_length_b [8.8046]
_cell_length_c [9.0508]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.4880]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Pu3CuTe8]
_chemical_formula_sum '[Na6 Pu6 Cu2 Te16]'
_cell_volume [1001.1719]
_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
[
  Na  Na0  4  0.2500  0.2500  0.0000  1
  Na  Na1  2  0.0000  0.0000  0.0000  1
  Pu  Pu2  4  0.2500  0.2500  0.5000  1
  Pu  Pu3  2  0.0000  0.5000  0.5000  1
  Cu  Cu4  2  0.0000  0.0000  0.5000  1
  Te  Te5  8  0.0070  0.2455  0.2768  1
  Te  Te6  4  0.2136  0.0000  0.7035  1
  Te  Te7  4  0.2456  0.5000  0.7359  1
]