data_[Cd4Re4I4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  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 [10.3839]
_cell_length_b [7.6210]
_cell_length_c [10.0339]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.5058]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CdReIO4]
_chemical_formula_sum '[Cd4 Re4 I4 O16]'
_cell_volume [691.0596]
_cell_formula_units_Z [4]
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
[
  Cd  Cd0  4  0.1687  0.0000  0.2025  1.0
  Re  Re1  4  0.1219  0.5000  0.3370  1.0
  I  I2  4  0.1455  0.0000  0.9104  1.0
  O  O3  8  0.1546  0.3137  0.2559  1.0
  O  O4  4  0.0613  0.5000  0.6983  1.0
  O  O5  4  0.2447  0.5000  0.5355  1.0
]