data_[Ce14Pu3Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pu  1.2800  1.7500  0.9675
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [10.3476]
_cell_length_b [10.3476]
_cell_length_c [6.3320]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Ce14(PuAu2)3]
_chemical_formula_sum '[Ce14 Pu3 Au6]'
_cell_volume [587.1516]
_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
[
  Ce  Ce0  3  0.1383  0.2765  0.9187  1
  Ce  Ce1  3  0.1966  0.3933  0.4258  1
  Ce  Ce2  3  0.4387  0.2193  0.6852  1
  Ce  Ce3  3  0.5517  0.1034  0.2366  1
  Ce  Ce4  1  0.0000  0.0000  0.5647  1
  Ce  Ce5  1  0.3333  0.6667  0.0794  1
  Pu  Pu6  1  0.0000  0.0000  0.9496  1
  Pu  Pu7  1  0.3333  0.6667  0.4666  1
  Pu  Pu8  1  0.6667  0.3333  0.4589  1
  Au  Au9  3  0.0633  0.5317  0.7700  1
  Au  Au10  3  0.2661  0.1331  0.2383  1
]