data_[Pu4Tl4Zn4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Tl  1.6200  1.9000  1.3325
  Zn  1.6500  1.3500  0.8800
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3946]
_cell_length_b [15.5717]
_cell_length_c [11.6934]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [PuTlZnTe3]
_chemical_formula_sum '[Pu4 Tl4 Zn4 Te12]'
_cell_volume [800.1904]
_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  0.0000  0.0000  0.0000  1
  Tl  Tl1  4  0.0000  0.2436  0.2500  1
  Zn  Zn2  4  0.0000  0.4661  0.7500  1
  Te  Te3  8  0.0000  0.3658  0.5642  1
  Te  Te4  4  0.0000  0.0734  0.7500  1
]