data_[Pu2Th1Zn6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Th  1.3000  1.8000  1.0800
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [8.1309]
_cell_length_b [8.1309]
_cell_length_c [3.1786]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [191]
_chemical_formula_structural [Pu2ThZn6]
_chemical_formula_sum '[Pu2 Th1 Zn6]'
_cell_volume [181.9868]
_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  2  0.3333  0.6667  0.0000  1
  Th  Th1  1  0.0000  0.0000  0.0000  1
  Zn  Zn2  6  0.0000  0.3367  0.5000  1
]