# generated using pymatgen
data_KAuS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04562125
_cell_length_b   5.04562123
_cell_length_c   6.68526250
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.53933749
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAuS
_chemical_formula_sum   'K2 Au2 S2'
_cell_volume   166.13573598
_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
  K  K0  1  0.62691854  0.37308046  0.25000000  1.0
  K  K1  1  0.37308046  0.62691854  0.75000000  1.0
  Au  Au2  1  0.00000000  -0.00000000  0.00000000  1.0
  Au  Au3  1  0.00000000  -0.00000000  0.50000000  1.0
  S  S4  1  0.20387686  0.79612314  0.25000000  1.0
  S  S5  1  0.79612314  0.20387686  0.75000000  1.0