# generated using pymatgen
data_LiAuS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.36289158
_cell_length_b   6.36289199
_cell_length_c   7.21163204
_cell_angle_alpha   116.47822778
_cell_angle_beta   116.47822394
_cell_angle_gamma   89.38917855
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAuS
_chemical_formula_sum   'Li4 Au4 S4'
_cell_volume   227.39176771
_cell_formula_units_Z   4
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  0.77429778  0.52429778  0.04859456  1
  Li  Li1  1  0.47570222  0.22570222  0.45140544  1
  Li  Li2  1  0.22570222  0.47570222  0.95140544  1
  Li  Li3  1  0.52429778  0.77429778  0.54859456  1
  Au  Au4  1  0.50000000  -0.00000000  -0.00000000  1
  Au  Au5  1  -0.00000000  0.50000000  0.50000000  1
  Au  Au6  1  -0.00000000  -0.00000000  -0.00000000  1
  Au  Au7  1  -0.00000000  -0.00000000  0.50000000  1
  S  S8  1  0.58708152  0.41291848  0.25000000  1
  S  S9  1  0.83708152  0.16291848  0.75000000  1
  S  S10  1  0.16291848  0.83708152  0.25000000  1
  S  S11  1  0.41291848  0.58708152  0.75000000  1
