data_[Pu1Th1Pa2Sb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Th  1.3000  1.8000  1.0800
  Pa  1.5000  1.8000  1.0400
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.6347]
_cell_length_b [4.4160]
_cell_length_c [7.6714]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4169]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [PuTh(PaSb2)2]
_chemical_formula_sum '[Pu1 Th1 Pa2 Sb4]'
_cell_volume [243.9295]
_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  0.5000  0.5000  0.0000  1
  Th  Th1  1  0.0000  0.0000  0.0000  1
  Pa  Pa2  1  0.0000  0.5000  0.5000  1
  Pa  Pa3  1  0.5000  0.0000  0.5000  1
  Sb  Sb4  2  0.2511  0.0000  0.7441  1
  Sb  Sb5  2  0.2555  0.5000  0.2579  1
]