# generated using pymatgen
data_CdI2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28513318
_cell_length_b   4.28513271
_cell_length_c   21.48415297
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999565
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdI2
_chemical_formula_sum   'Cd3 I6'
_cell_volume   341.64690201
_cell_formula_units_Z   3
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  0.66666700  0.33333300  0.08276464  1.0
  Cd  Cd1  1  -0.00000000  -0.00000000  0.41684597  1.0
  Cd  Cd2  1  -0.00000000  -0.00000000  0.75027485  1.0
  I  I3  1  0.66666700  0.33333300  0.67009581  1.0
  I  I4  1  0.33333300  0.66666700  0.83064640  1.0
  I  I5  1  0.33333300  0.66666700  0.16287952  1.0
  I  I6  1  0.66666700  0.33333300  0.33675565  1.0
  I  I7  1  -0.00000000  -0.00000000  0.00263259  1.0
  I  I8  1  0.33333300  0.66666700  0.49710357  1.0