# generated using pymatgen
data_LiIO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.57814654
_cell_length_b   9.57814654
_cell_length_c   6.18228917
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiIO3
_chemical_formula_sum   'Li8 I8 O24'
_cell_volume   567.16871775
_cell_formula_units_Z   8
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
  Li  Li0  1  0.98686823  0.17504108  0.15164727  1
  Li  Li1  1  0.67504108  0.51313177  0.65164727  1
  Li  Li2  1  0.32495892  0.48686823  0.65164727  1
  Li  Li3  1  0.01313177  0.82495892  0.15164727  1
  Li  Li4  1  0.51313177  0.32495892  0.34835273  1
  Li  Li5  1  0.82495892  0.98686823  0.84835273  1
  Li  Li6  1  0.17504108  0.01313177  0.84835273  1
  Li  Li7  1  0.48686823  0.67504108  0.34835273  1
  I  I8  1  0.50600405  0.78509375  0.86725112  1
  I  I9  1  0.00600405  0.28509375  0.63274888  1
  I  I10  1  0.78509375  0.49399595  0.13274888  1
  I  I11  1  0.21490625  0.50600405  0.13274888  1
  I  I12  1  0.99399595  0.71490625  0.63274888  1
  I  I13  1  0.49399595  0.21490625  0.86725112  1
  I  I14  1  0.71490625  0.00600405  0.36725112  1
  I  I15  1  0.28509375  0.99399595  0.36725112  1
  O  O16  1  0.09929531  0.19643907  0.41854159  1
  O  O17  1  0.80356093  0.09929531  0.58145841  1
  O  O18  1  0.59929531  0.69643907  0.08145841  1
  O  O19  1  0.40070469  0.30356093  0.08145841  1
  O  O20  1  0.19643907  0.90070469  0.58145841  1
  O  O21  1  0.69643907  0.40070469  0.91854159  1
  O  O22  1  0.90070469  0.80356093  0.41854159  1
  O  O23  1  0.63327945  0.91773399  0.80113041  1
  O  O24  1  0.86672055  0.58226601  0.69886959  1
  O  O25  1  0.08226601  0.63327945  0.19886959  1
  O  O26  1  0.91773399  0.36672055  0.19886959  1
  O  O27  1  0.13327945  0.41773399  0.69886959  1
  O  O28  1  0.96059191  0.83609475  0.85131592  1
  O  O29  1  0.41773399  0.86672055  0.30113041  1
  O  O30  1  0.58226601  0.13327945  0.30113041  1
  O  O31  1  0.36672055  0.08226601  0.80113041  1
  O  O32  1  0.46059191  0.33609475  0.64868408  1
  O  O33  1  0.33609475  0.53940809  0.35131592  1
  O  O34  1  0.66390525  0.46059191  0.35131592  1
  O  O35  1  0.03940809  0.16390525  0.85131592  1
  O  O36  1  0.53940809  0.66390525  0.64868408  1
  O  O37  1  0.16390525  0.96059191  0.14868408  1
  O  O38  1  0.83609475  0.03940809  0.14868408  1
  O  O39  1  0.30356093  0.59929531  0.91854159  1
