# generated using pymatgen
data_LiIO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18097706
_cell_length_b   5.80271170
_cell_length_c   9.33360494
_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   'Li4 I4 O12'
_cell_volume   280.60285007
_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
  Li  Li0  1  0.97512237  0.41575307  0.48126068  1
  Li  Li1  1  0.97512237  0.08424693  0.98126068  1
  Li  Li2  1  0.47512237  0.58424693  0.51873932  1
  Li  Li3  1  0.47512237  0.91575307  0.01873932  1
  I  I4  1  0.51439127  0.42490990  0.18170820  1
  I  I5  1  0.01439127  0.57509010  0.81829180  1
  I  I6  1  0.51439127  0.07509010  0.68170820  1
  I  I7  1  0.01439127  0.92490990  0.31829180  1
  O  O8  1  0.67988137  0.47149554  0.34888102  1
  O  O9  1  0.17291101  0.14556727  0.42346929  1
  O  O10  1  0.17988137  0.97149554  0.15111898  1
  O  O11  1  0.67291101  0.85443273  0.57653071  1
  O  O12  1  0.67291101  0.64556727  0.07653071  1
  O  O13  1  0.17988137  0.52850446  0.65111898  1
  O  O14  1  0.19089398  0.67305023  0.37573566  1
  O  O15  1  0.69089398  0.17305023  0.12426434  1
  O  O16  1  0.69089398  0.32694977  0.62426434  1
  O  O17  1  0.19089398  0.82694977  0.87573566  1
  O  O18  1  0.67988137  0.02850446  0.84888102  1
  O  O19  1  0.17291101  0.35443273  0.92346929  1
