data_[Pu4Zn2Ga6]
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
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.6048]
_cell_length_b [6.6296]
_cell_length_c [7.9656]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Pu2ZnGa3]
_chemical_formula_sum '[Pu4 Zn2 Ga6]'
_cell_volume [243.1726]
_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  0.0000  0.2493  0.5001  1
  Zn  Zn1  2  0.0000  0.5000  0.8319  1
  Ga  Ga2  2  0.0000  0.0000  0.1687  1
  Ga  Ga3  2  0.0000  0.0000  0.8345  1
  Ga  Ga4  2  0.0000  0.5000  0.1647  1
]