# generated using pymatgen
data_LiIO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.97705600
_cell_length_b   9.97705600
_cell_length_c   6.77233800
_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   674.12967468
_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  0.50000000  0.50000000  0.50000000  1
  Li  Li1  1  0.00000000  0.00000000  0.00000000  1
  Li  Li2  1  0.75000000  0.75000000  0.25000000  1
  Li  Li3  1  0.50000000  0.50000000  0.00000000  1
  Li  Li4  1  0.25000000  0.25000000  0.25000000  1
  Li  Li5  1  0.75000000  0.25000000  0.75000000  1
  Li  Li6  1  0.25000000  0.75000000  0.75000000  1
  Li  Li7  1  0.00000000  0.00000000  0.50000000  1
  I  I8  1  0.71596100  0.01140700  0.14590000  1
  I  I9  1  0.21596100  0.51140700  0.35410000  1
  I  I10  1  0.28403900  0.98859300  0.14590000  1
  I  I11  1  0.78403900  0.48859300  0.35410000  1
  I  I12  1  0.01140700  0.28403900  0.85410000  1
  I  I13  1  0.51140700  0.78403900  0.64590000  1
  I  I14  1  0.48859300  0.21596100  0.64590000  1
  I  I15  1  0.98859300  0.71596100  0.85410000  1
  O  O16  1  0.19232300  0.08014700  0.95248200  1
  O  O17  1  0.91985300  0.19232300  0.04751800  1
  O  O18  1  0.12093500  0.59601600  0.79352000  1
  O  O19  1  0.62093500  0.09601600  0.70648000  1
  O  O20  1  0.97112200  0.16780900  0.65583600  1
  O  O21  1  0.69232300  0.58014700  0.54751800  1
  O  O22  1  0.47112200  0.66780900  0.84416400  1
  O  O23  1  0.83219100  0.97112200  0.34416400  1
  O  O24  1  0.52887800  0.33219100  0.84416400  1
  O  O25  1  0.37906500  0.90398400  0.70648000  1
  O  O26  1  0.02887800  0.83219100  0.65583600  1
  O  O27  1  0.08014700  0.80767700  0.04751800  1
  O  O28  1  0.40398400  0.12093500  0.20648000  1
  O  O29  1  0.59601600  0.87906500  0.20648000  1
  O  O30  1  0.41985300  0.69232300  0.45248200  1
  O  O31  1  0.16780900  0.02887800  0.34416400  1
  O  O32  1  0.09601600  0.37906500  0.29352000  1
  O  O33  1  0.33219100  0.47112200  0.15583600  1
  O  O34  1  0.87906500  0.40398400  0.79352000  1
  O  O35  1  0.80767700  0.91985300  0.95248200  1
  O  O36  1  0.66780900  0.52887800  0.15583600  1
  O  O37  1  0.30767700  0.41985300  0.54751800  1
  O  O38  1  0.58014700  0.30767700  0.45248200  1
  O  O39  1  0.90398400  0.62093500  0.29352000  1
