data_[Pu2Sn1Au3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.2142]
_cell_length_b [4.8706]
_cell_length_c [8.5903]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Pu2SnAu3]
_chemical_formula_sum '[Pu2 Sn1 Au3]'
_cell_volume [134.4842]
_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  0.5175  1
  Pu  Pu1  1  0.0000  0.5000  0.9859  1
  Sn  Sn2  1  0.5000  0.5000  0.3279  1
  Au  Au3  1  0.5000  0.0000  0.1670  1
  Au  Au4  1  0.5000  0.0000  0.8376  1
  Au  Au5  1  0.5000  0.5000  0.6641  1
]