data_[Pu2Ga4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.3885]
_cell_length_b [4.3885]
_cell_length_c [10.6897]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [Pu(GaAu)2]
_chemical_formula_sum '[Pu2 Ga4 Au4]'
_cell_volume [205.8747]
_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  0.0000  0.5000  0.2488  1
  Ga  Ga1  2  0.0000  0.0000  0.5000  1
  Ga  Ga2  2  0.0000  0.5000  0.8670  1
  Au  Au3  2  0.0000  0.0000  0.0000  1
  Au  Au4  2  0.0000  0.5000  0.6336  1
]