data_[Pa40Fe24Sb96]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Fe  1.8300  1.4000  0.8525
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [17.1315]
_cell_length_b [17.1315]
_cell_length_c [17.1315]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [230]
_chemical_formula_structural [Pa5(FeSb4)3]
_chemical_formula_sum '[Pa40 Fe24 Sb96]'
_cell_volume [5027.9364]
_cell_formula_units_Z [8]
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
[
  Pa  Pa0  24  0.0000  0.2500  0.3750  1
  Pa  Pa1  16  0.0000  0.0000  0.0000  1
  Fe  Fe2  24  0.0000  0.2500  0.1250  1
  Sb  Sb3  96  0.0256  0.6008  0.3520  1
]