data_[Pu12Th2Pt10]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.0202]
_cell_length_b [15.1384]
_cell_length_c [7.1184]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Pu6ThPt5]
_chemical_formula_sum '[Pu12 Th2 Pt10]'
_cell_volume [540.9763]
_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
[
  Pu  Pu0  8  0.0000  0.1803  0.2532  1
  Pu  Pu1  4  0.0000  0.5000  0.2779  1
  Th  Th2  2  0.0000  0.0000  0.0000  1
  Pt  Pt3  4  0.0000  0.3368  0.5000  1
  Pt  Pt4  4  0.0000  0.3530  0.0000  1
  Pt  Pt5  2  0.0000  0.0000  0.5000  1
]