# generated using pymatgen
data_LiAuI4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39605371
_cell_length_b   7.18515821
_cell_length_c   13.34591259
_cell_angle_alpha   92.70050941
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAuI4
_chemical_formula_sum   'Li2 Au2 I8'
_cell_volume   421.08040318
_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  0.00000000  -0.00000000  0.50000000  1
  Li  Li1  1  0.50000000  0.50000000  -0.00000000  1
  Au  Au2  1  0.50000000  0.50000000  0.50000000  1
  Au  Au3  1  0.00000000  -0.00000000  -0.00000000  1
  I  I4  1  0.99815293  0.31365062  0.11399323  1
  I  I5  1  0.49815293  0.18634938  0.38600677  1
  I  I6  1  0.00184707  0.68634938  0.88600677  1
  I  I7  1  0.50184707  0.81365062  0.61399323  1
  I  I8  1  0.33227497  0.83343174  0.13728144  1
  I  I9  1  0.83227497  0.66656826  0.36271856  1
  I  I10  1  0.66772503  0.16656826  0.86271856  1
  I  I11  1  0.16772503  0.33343074  0.63728144  1
