data_[Pu2Ga2Ni4]
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 [Pmma]
_cell_length_a [4.9997]
_cell_length_b [3.9969]
_cell_length_c [6.5354]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [PuGaNi2]
_chemical_formula_sum '[Pu2 Ga2 Ni4]'
_cell_volume [130.5990]
_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  0.2500  0.0000  0.3054  1
  Ga  Ga1  2  0.2500  0.5000  0.6631  1
  Ni  Ni2  2  0.0000  0.5000  0.0000  1
  Ni  Ni3  2  0.2500  0.0000  0.8796  1
]