data_[Pu4Pa12Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Pa  1.5000  1.8000  1.0400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.9140]
_cell_length_b [3.7498]
_cell_length_c [9.3393]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5197]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PuPa3Sn]
_chemical_formula_sum '[Pu4 Pa12 Sn4]'
_cell_volume [500.7385]
_cell_formula_units_Z [4]
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  0.0832  0.0000  0.2406  1
  Pa  Pa1  4  0.0643  0.0000  0.6781  1
  Pa  Pa2  4  0.1452  0.5000  0.4192  1
  Pa  Pa3  4  0.2336  0.0000  0.1730  1
  Sn  Sn4  4  0.0852  0.5000  0.9560  1
]