data_[Pa2Al4I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Al  1.6100  1.2500  0.6750
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.4211]
_cell_length_b [10.6344]
_cell_length_c [7.6075]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.2586]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pa(AlI4)2]
_chemical_formula_sum '[Pa2 Al4 I16]'
_cell_volume [1148.0307]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1
  Al  Al1  4  0.1957  0.0000  0.6523  1
  I  I2  8  0.0982  0.1865  0.7741  1
  I  I3  4  0.1302  0.5000  0.2087  1
  I  I4  4  0.1840  0.0000  0.2856  1
]