# generated using pymatgen
data_CdI2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.34457224
_cell_length_b   4.34457224
_cell_length_c   44.01607900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000369
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdI2
_chemical_formula_sum   'Cd6 I12'
_cell_volume   719.50864151
_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  0.33333300  0.66666700  0.53678000  1.0
  Cd  Cd1  1  0.33333300  0.66666700  0.04139900  1.0
  Cd  Cd2  1  0.00000000  0.00000000  0.63219700  1.0
  Cd  Cd3  1  0.33333300  0.66666700  0.20800800  1.0
  Cd  Cd4  1  0.66666700  0.33333300  0.37385700  1.0
  Cd  Cd5  1  0.33333300  0.66666700  0.87437000  1.0
  I  I6  1  0.00000000  0.00000000  0.16952800  1.0
  I  I7  1  0.33333300  0.66666700  0.41324400  1.0
  I  I8  1  0.66666700  0.33333300  0.08082300  1.0
  I  I9  1  0.66666700  0.33333300  0.91379800  1.0
  I  I10  1  0.33333300  0.66666700  0.66713300  1.0
  I  I11  1  0.00000000  0.00000000  0.33537300  1.0
  I  I12  1  0.00000000  0.00000000  0.00289900  1.0
  I  I13  1  0.66666700  0.33333300  0.58227700  1.0
  I  I14  1  0.66666700  0.33333300  0.24741300  1.0
  I  I15  1  0.00000000  0.00000000  0.83582400  1.0
  I  I16  1  0.00000000  0.00000000  0.49902900  1.0
  I  I17  1  0.66666700  0.33333300  0.73604800  1.0