# generated using pymatgen
data_Cd3IO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.72746309
_cell_length_b   5.58105768
_cell_length_c   9.90275655
_cell_angle_alpha   55.66777925
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd3IO6
_chemical_formula_sum   'Cd6 I2 O12'
_cell_volume   261.39660051
_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
  Cd  Cd0  1  0.95463371  0.24686654  0.24085562  1.0
  Cd  Cd1  1  0.45463371  0.75313346  0.25914438  1.0
  Cd  Cd2  1  0.04536629  0.75313346  0.75914438  1.0
  Cd  Cd3  1  0.54536629  0.24686654  0.74085562  1.0
  Cd  Cd4  1  0.00000000  0.50000000  0.50000000  1.0
  Cd  Cd5  1  0.50000000  0.50000000  0.00000000  1.0
  I  I6  1  0.00000000  0.00000000  0.00000000  1.0
  I  I7  1  0.50000000  0.00000000  0.50000000  1.0
  O  O8  1  0.28028408  0.91350286  0.91670685  1.0
  O  O9  1  0.78028408  0.08649714  0.58329315  1.0
  O  O10  1  0.71971592  0.08649714  0.08329315  1.0
  O  O11  1  0.21971592  0.91350286  0.41670685  1.0
  O  O12  1  0.17757164  0.24100023  0.05023556  1.0
  O  O13  1  0.67757164  0.75899977  0.44976444  1.0
  O  O14  1  0.82242836  0.75899977  0.94976444  1.0
  O  O15  1  0.32242836  0.24100023  0.55023556  1.0
  O  O16  1  0.42215710  0.65436364  0.72382562  1.0
  O  O17  1  0.92215710  0.34563636  0.77617438  1.0
  O  O18  1  0.57784290  0.34563636  0.27617438  1.0
  O  O19  1  0.07784290  0.65436364  0.22382562  1.0