# generated using pymatgen
data_LiH3IN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78291615
_cell_length_b   6.42592700
_cell_length_c   7.62595286
_cell_angle_alpha   90.00000000
_cell_angle_beta   105.82516387
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiH3IN
_chemical_formula_sum   'Li2 H6 I2 N2'
_cell_volume   225.49770484
_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  0.69648500  0.74118600  0.85975700  1
  Li  Li1  1  0.30351500  0.24118600  0.14024300  1
  H  H2  1  0.33756900  0.52827000  0.60669600  1
  H  H3  1  0.66243100  0.02827000  0.39330400  1
  H  H4  1  0.59512300  0.38114900  0.73194500  1
  H  H5  1  0.40487700  0.88114900  0.26805500  1
  H  H6  1  0.64682900  0.50768000  0.55692800  1
  H  H7  1  0.35317100  0.00768000  0.44307200  1
  I  I8  1  0.83383200  0.48644500  0.17466900  1
  I  I9  1  0.16616800  0.98644500  0.82533100  1
  N  N10  1  0.55793100  0.52027100  0.66379600  1
  N  N11  1  0.44206900  0.02027100  0.33620400  1
