# generated using pymatgen
data_LiAuC4S4(OF)12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.30967300
_cell_length_b   8.83225918
_cell_length_c   10.76629630
_cell_angle_alpha   94.06607442
_cell_angle_beta   92.53799559
_cell_angle_gamma   94.10013685
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAuC4S4(OF)12
_chemical_formula_sum   'Li1 Au1 C4 S4 O12 F12'
_cell_volume   501.72239729
_cell_formula_units_Z   1
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  0.50000000  0.00000000  1
  Au  Au1  1  0.50000000  0.00000000  0.00000000  1
  C  C2  1  0.83910800  0.16824300  0.65756600  1
  C  C3  1  0.16089200  0.83175700  0.34243400  1
  C  C4  1  0.44861300  0.67113500  0.68115300  1
  C  C5  1  0.55138700  0.32886500  0.31884700  1
  S  S6  1  0.47609300  0.66363600  0.85498200  1
  S  S7  1  0.52390700  0.33636400  0.14501800  1
  S  S8  1  0.90917100  0.15929800  0.82966900  1
  S  S9  1  0.09082900  0.84070200  0.17033100  1
  O  O10  1  0.03220800  0.30707300  0.86968800  1
  O  O11  1  0.96779200  0.69292700  0.13031200  1
  O  O12  1  0.63630100  0.14419100  0.87302200  1
  O  O13  1  0.36369900  0.85580900  0.12697800  1
  O  O14  1  0.21853700  0.64998200  0.89323800  1
  O  O15  1  0.78146300  0.35001800  0.10676200  1
  O  O16  1  0.64207700  0.54519000  0.87721500  1
  O  O17  1  0.35792300  0.45481000  0.12278500  1
  O  O18  1  0.61726300  0.81814600  0.89543800  1
  O  O19  1  0.38273700  0.18185400  0.10456200  1
  O  O20  1  0.04493600  0.02590700  0.84464000  1
  O  O21  1  0.95506400  0.97409300  0.15536000  1
  F  F22  1  0.06252400  0.18377600  0.60285800  1
  F  F23  1  0.93747600  0.81622400  0.39714200  1
  F  F24  1  0.67995400  0.68468500  0.63488400  1
  F  F25  1  0.32004600  0.31531500  0.36511600  1
  F  F26  1  0.31773900  0.79044000  0.65263700  1
  F  F27  1  0.68226100  0.20956000  0.34736300  1
  F  F28  1  0.32290900  0.54121600  0.63143700  1
  F  F29  1  0.67709100  0.45878400  0.36856300  1
  F  F30  1  0.70918800  0.03910300  0.61017700  1
  F  F31  1  0.29081200  0.96089700  0.38982300  1
  F  F32  1  0.70482600  0.28825200  0.63583200  1
  F  F33  1  0.29517400  0.71174800  0.36416800  1
