data_[Pu3Tl1Pt8]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.4569]
_cell_length_b [5.4569]
_cell_length_c [8.9163]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Pu3TlPt8]
_chemical_formula_sum '[Pu3 Tl1 Pt8]'
_cell_volume [229.9404]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.9232  1
  Pu  Pu1  1  0.6667  0.3333  0.0671  1
  Pu  Pu2  1  0.6667  0.3333  0.4437  1
  Tl  Tl3  1  0.0000  0.0000  0.5556  1
  Pt  Pt4  3  0.1641  0.3282  0.2482  1
  Pt  Pt5  3  0.5023  0.0047  0.7541  1
  Pt  Pt6  1  0.3333  0.6667  0.0025  1
  Pt  Pt7  1  0.3333  0.6667  0.5012  1
]