data_[Pu2Si6Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Si  1.9000  1.1000  0.5400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.3557]
_cell_length_b [3.9835]
_cell_length_c [11.1040]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.8661]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [PuSi3Au]
_chemical_formula_sum '[Pu2 Si6 Au2]'
_cell_volume [190.3612]
_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  2  0.3081  0.0000  0.1544  1
  Si  Si1  2  0.0708  0.0000  0.4016  1
  Si  Si2  2  0.2289  0.5000  0.9507  1
  Si  Si3  2  0.4017  0.5000  0.3934  1
  Au  Au4  2  0.1761  0.5000  0.7265  1
]