[CIF]
data_CdI2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28987044
_cell_length_b   4.28987044
_cell_length_c   41.86748500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdI2
_chemical_formula_sum   'Cd6 I12'
_cell_volume   667.26117827
_cell_formula_units_Z   6
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  1  -0.00000000  2.47675786  34.89088073  1
  Cd  Cd1  1  0.00000000  0.00000000  0.00000000  1
  Cd  Cd2  1  2.14493522  1.23837893  6.97660427  1
  Cd  Cd3  1  0.00000000  0.00000000  13.95481500  1
  Cd  Cd4  1  0.00000000  0.00000000  20.93374250  1
  Cd  Cd5  1  0.00000000  0.00000000  27.91267000  1
  I  I6  1  2.14493522  1.23837893  33.16442893  1
  I  I7  1  0.00000000  0.00000000  36.61538988  1
  I  I8  1  2.14493522  1.23837893  40.14101897  1
  I  I9  1  -0.00000000  2.47675786  1.72646603  1
  I  I10  1  0.00000000  0.00000000  5.25209513  1
  I  I11  1  -0.00000000  2.47675786  8.70305607  1
  I  I12  1  2.14493522  1.23837893  12.22911431  1
  I  I13  1  -0.00000000  2.47675786  15.68057599  1
  I  I14  1  2.14493522  1.23837893  19.20675438  1
  I  I15  1  -0.00000000  2.47675786  22.66073062  1
  I  I16  1  2.14493522  1.23837893  26.18690902  1
  I  I17  1  -0.00000000  2.47675786  29.63837070  1
[/CIF]
