# generated using pymatgen
data_Li2Ti(IO3)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18293700
_cell_length_b   9.53497700
_cell_length_c   9.53489697
_cell_angle_alpha   59.99995795
_cell_angle_beta   89.99951990
_cell_angle_gamma   89.99984450
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Ti(IO3)6
_chemical_formula_sum   'Li2 Ti1 I6 O18'
_cell_volume   408.07691937
_cell_formula_units_Z   1
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  0.72500200  0.33336500  0.33331800  1
  Li  Li1  1  0.22097900  0.66663500  0.66668300  1
  Ti  Ti2  1  0.66383200  0.00000000  0.99999900  1
  I  I3  1  0.78374300  0.96718000  0.67138700  1
  I  I4  1  0.78373300  0.36142800  0.96718200  1
  I  I5  1  0.78373600  0.67139200  0.36143100  1
  I  I6  1  0.29643300  0.02749200  0.31554600  1
  I  I7  1  0.29642300  0.65696700  0.02748800  1
  I  I8  1  0.29642700  0.31553800  0.65696400  1
  O  O9  1  0.49886600  0.24437700  0.55014300  1
  O  O10  1  0.49886200  0.20548200  0.24437000  1
  O  O11  1  0.49886200  0.55015100  0.20548000  1
  O  O12  1  0.00435000  0.75650000  0.44737800  1
  O  O13  1  0.00434200  0.79612200  0.75650600  1
  O  O14  1  0.00434100  0.44736900  0.79612700  1
  O  O15  1  0.88153400  0.04390300  0.81446000  1
  O  O16  1  0.88153700  0.14163600  0.04390200  1
  O  O17  1  0.88153800  0.81446400  0.14163600  1
  O  O18  1  0.44471500  0.94284600  0.19204600  1
  O  O19  1  0.44471400  0.86511000  0.94284300  1
  O  O20  1  0.44471100  0.19204500  0.86511000  1
  O  O21  1  0.96624100  0.11420200  0.49507500  1
  O  O22  1  0.96622800  0.39072400  0.11420300  1
  O  O23  1  0.96621700  0.49508100  0.39071900  1
  O  O24  1  0.45708700  0.88612200  0.50387300  1
  O  O25  1  0.45707500  0.61000200  0.88612500  1
  O  O26  1  0.45707100  0.50386900  0.61000700  1
