# generated using pymatgen
data_LiH2IO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39002200
_cell_length_b   5.67330700
_cell_length_c   6.34950663
_cell_angle_alpha   89.81351674
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiH2IO
_chemical_formula_sum   'Li2 H4 I2 O2'
_cell_volume   158.13960971
_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  0.50000000  0.74887400  0.74954400  1
  Li  Li1  1  0.50000000  0.74673500  0.24811300  1
  H  H2  1  0.67637100  0.39125100  0.99982000  1
  H  H3  1  0.32362900  0.39125100  0.99982000  1
  H  H4  1  0.67690500  0.09982800  0.48947000  1
  H  H5  1  0.32309500  0.09982800  0.48947000  1
  I  I6  1  0.00000000  0.99959400  0.99879300  1
  I  I7  1  0.00000000  0.49806600  0.49993200  1
  O  O8  1  0.50000000  0.50027100  0.99994800  1
  O  O9  1  0.50000000  0.99130200  0.49209100  1
