# generated using pymatgen
data_LiIO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45128639
_cell_length_b   5.45236587
_cell_length_c   5.09121354
_cell_angle_alpha   90.00528201
_cell_angle_beta   90.00709659
_cell_angle_gamma   120.00170409
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiIO3
_chemical_formula_sum   'Li2 I2 O6'
_cell_volume   131.04741729
_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
  Li  Li0  1  0.00018574  0.00024730  0.07746077  1
  Li  Li1  1  -0.00011618  -0.00008341  0.57738997  1
  I  I2  1  0.66662207  0.33336157  0.50477880  1
  I  I3  1  0.33336475  0.66660032  0.00470361  1
  O  O4  1  0.75349795  0.65957811  0.33607887  1
  O  O5  1  0.24645599  0.34033205  0.83608865  1
  O  O6  1  0.09397907  0.75353495  0.83620665  1
  O  O7  1  0.34024984  0.09375407  0.33625973  1
  O  O8  1  0.65965465  0.90620713  0.83616665  1
  O  O9  1  0.90610711  0.24646990  0.33626630  1
