data_[Al4Co2I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Co  1.8800  1.3500  0.7683
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2628]
_cell_length_b [11.0510]
_cell_length_c [7.0347]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.9744]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al2CoI8]
_chemical_formula_sum '[Al4 Co2 I16]'
_cell_volume [1030.9091]
_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
[
  Al  Al0  4  0.2014  0.0000  0.6502  1.0
  Co  Co1  2  0.0000  0.0000  0.0000  1.0
  I  I2  8  0.0905  0.1672  0.8070  1.0
  I  I3  4  0.1191  0.5000  0.2335  1.0
  I  I4  4  0.1927  0.0000  0.2899  1.0
]