# generated using pymatgen
data_CeI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.73037060
_cell_length_b   7.73037060
_cell_length_c   10.13404743
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   147.14393025
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeI3
_chemical_formula_sum   'Ce2 I6'
_cell_volume   328.55474647
_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
  Ce  Ce0  1  0.25860605  0.74139395  0.25000000  1.0
  Ce  Ce1  1  0.74139395  0.25860605  0.75000000  1.0
  I  I2  1  0.64988277  0.35011723  0.06719265  1.0
  I  I3  1  0.35011723  0.64988277  0.93280735  1.0
  I  I4  1  0.35011723  0.64988277  0.56719265  1.0
  I  I5  1  0.64988277  0.35011723  0.43280735  1.0
  I  I6  1  0.91255178  0.08744822  0.25000000  1.0
  I  I7  1  0.08744822  0.91255178  0.75000000  1.0