data_[Pu4Ga6Ni4]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2348]
_cell_length_b [4.0485]
_cell_length_c [6.9044]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.8032]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu2Ga3Ni2]
_chemical_formula_sum '[Pu4 Ga6 Ni4]'
_cell_volume [250.6955]
_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  0.1424  0.0000  0.7783  1
  Ga  Ga1  4  0.1374  0.5000  0.4418  1
  Ga  Ga2  2  0.0000  0.5000  0.0000  1
  Ni  Ni3  4  0.1305  0.0000  0.2035  1
]