data_[Pr2Pa1I1O8]
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
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.8486]
_cell_length_b [5.6061]
_cell_length_c [7.7009]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Pr2PaIO8]
_chemical_formula_sum '[Pr2 Pa1 I1 O8]'
_cell_volume [166.1523]
_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
[
  Pr  Pr0  2  0.5000  0.5000  0.2473  1
  Pa  Pa1  1  0.0000  0.0000  0.5000  1
  I  I2  1  0.0000  0.0000  0.0000  1
  O  O3  4  0.0000  0.2282  0.2467  1
  O  O4  2  0.5000  0.2250  0.0000  1
  O  O5  2  0.5000  0.2302  0.5000  1
]