data_[Pr32Pa16Sb48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Pa  1.5000  1.8000  1.0400
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [8.9862]
_cell_length_b [12.6968]
_cell_length_c [26.9081]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [Pr2PaSb3]
_chemical_formula_sum '[Pr32 Pa16 Sb48]'
_cell_volume [3070.0906]
_cell_formula_units_Z [16]
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
[
  Pr  Pr0  16  0.0000  0.0000  0.2518  1
  Pr  Pr1  16  0.0000  0.0000  0.4182  1
  Pa  Pa2  16  0.0000  0.0000  0.0835  1
  Sb  Sb3  32  0.0057  0.2448  0.0854  1
  Sb  Sb4  16  0.0112  0.2500  0.2500  1
]