data_[Pu2Ga3Sn1]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.3911]
_cell_length_b [4.6506]
_cell_length_c [8.3276]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Pu2Ga3Sn]
_chemical_formula_sum '[Pu2 Ga3 Sn1]'
_cell_volume [131.3316]
_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
[
  Pu  Pu0  1  0.0000  0.0000  0.5145  1
  Pu  Pu1  1  0.0000  0.5000  0.9913  1
  Ga  Ga2  1  0.5000  0.0000  0.1506  1
  Ga  Ga3  1  0.5000  0.0000  0.8322  1
  Ga  Ga4  1  0.5000  0.5000  0.6777  1
  Sn  Sn5  1  0.5000  0.5000  0.3336  1
]