data_[Pu6Zn14Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Zn  1.6500  1.3500  0.8800
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.8805]
_cell_length_b [4.5008]
_cell_length_c [9.3069]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9761]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu3Zn7Au4]
_chemical_formula_sum '[Pu6 Zn14 Au8]'
_cell_volume [545.0669]
_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  4  0.2065  0.5000  0.2074  1
  Pu  Pu1  2  0.0000  0.0000  0.5000  1
  Zn  Zn2  4  0.0002  0.5000  0.1751  1
  Zn  Zn3  4  0.1388  0.0000  0.9281  1
  Zn  Zn4  4  0.1636  0.5000  0.5150  1
  Zn  Zn5  2  0.0000  0.0000  0.0000  1
  Au  Au6  4  0.1287  0.0000  0.3450  1
  Au  Au7  4  0.1533  0.5000  0.7879  1
]