# generated using pymatgen
data_CsI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.01239966
_cell_length_b   10.33270990
_cell_length_c   11.11704509
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsI3
_chemical_formula_sum   'Cs4 I12'
_cell_volume   805.50875207
_cell_formula_units_Z   4
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
  Cs  Cs0  1  0.25000000  0.46818334  0.82284628  1.0
  Cs  Cs1  1  0.75000000  0.53181666  0.17715372  1.0
  Cs  Cs2  1  0.75000000  0.96818334  0.67715372  1.0
  Cs  Cs3  1  0.25000000  0.03181666  0.32284628  1.0
  I  I4  1  0.25000000  0.36411428  0.16563052  1.0
  I  I5  1  0.75000000  0.63588572  0.83436948  1.0
  I  I6  1  0.75000000  0.86411428  0.33436948  1.0
  I  I7  1  0.25000000  0.13588572  0.66563052  1.0
  I  I8  1  0.25000000  0.55345250  0.37280520  1.0
  I  I9  1  0.75000000  0.44654750  0.62719480  1.0
  I  I10  1  0.75000000  0.05345250  0.12719480  1.0
  I  I11  1  0.25000000  0.94654750  0.87280520  1.0
  I  I12  1  0.25000000  0.73855648  0.56725873  1.0
  I  I13  1  0.75000000  0.26144352  0.43274127  1.0
  I  I14  1  0.75000000  0.23855648  0.93274127  1.0
  I  I15  1  0.25000000  0.76144352  0.06725873  1.0