data_[Pa2Re2I4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Re  1.9000  1.3500  0.7125
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.7518]
_cell_length_b [5.9066]
_cell_length_c [5.7428]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2851]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PaRe(IO3)2]
_chemical_formula_sum '[Pa2 Re2 I4 O12]'
_cell_volume [477.7915]
_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  0.5000  1
  Re  Re1  2  0.0000  0.5000  0.0000  1
  I  I2  4  0.2110  0.5000  0.2305  1
  O  O3  8  0.0065  0.2807  0.7795  1
  O  O4  4  0.1418  0.0000  0.6058  1
]