# generated using pymatgen
data_LiH12AuC4(SO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.40222341
_cell_length_b   8.40222341
_cell_length_c   8.40222341
_cell_angle_alpha   109.82706236
_cell_angle_beta   109.82706236
_cell_angle_gamma   108.76185750
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiH12AuC4(SO3)4
_chemical_formula_sum   'Li1 H12 Au1 C4 S4 O12'
_cell_volume   456.57373874
_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  0.75000000  0.25000000  0.50000000  1
  H  H1  1  0.89377400  0.77813700  0.31083400  1
  H  H2  1  0.46730300  0.58294100  0.68916600  1
  H  H3  1  0.22186300  0.53269700  0.11563700  1
  H  H4  1  0.41705900  0.10622600  0.88436300  1
  H  H5  1  0.95038700  0.69676300  0.48601300  1
  H  H6  1  0.21075000  0.46437500  0.51398700  1
  H  H7  1  0.30323700  0.78925000  0.25362500  1
  H  H8  1  0.53562500  0.04961300  0.74637500  1
  H  H9  1  0.70184900  0.62796000  0.33181000  1
  H  H10  1  0.29615000  0.37003900  0.66819000  1
  H  H11  1  0.37204000  0.70385000  0.07388900  1
  H  H12  1  0.62996100  0.29815100  0.92611100  1
  Au  Au13  1  0.00000000  0.00000000  0.00000000  1
  C  C14  1  0.85429700  0.74105300  0.41005100  1
  C  C15  1  0.33100200  0.44424600  0.58994900  1
  C  C16  1  0.25894700  0.66899800  0.11324400  1
  C  C17  1  0.55575400  0.14570300  0.88675600  1
  S  S18  1  0.88625300  0.95416500  0.58870700  1
  S  S19  1  0.36545800  0.29754600  0.41129300  1
  S  S20  1  0.04583500  0.63454200  0.93208800  1
  S  S21  1  0.70245400  0.11374700  0.06791200  1
  O  O22  1  0.81042600  0.88117200  0.71062000  1
  O  O23  1  0.17055200  0.09980600  0.28938000  1
  O  O24  1  0.11882800  0.82944800  0.92925400  1
  O  O25  1  0.90019400  0.18957400  0.07074600  1
  O  O26  1  0.09133000  0.09833100  0.70820600  1
  O  O27  1  0.39012500  0.38312400  0.29179400  1
  O  O28  1  0.90166900  0.60987500  0.99299900  1
  O  O29  1  0.61687600  0.90867000  0.00700100  1
  O  O30  1  0.75216200  0.00958600  0.49136400  1
  O  O31  1  0.51822100  0.26079800  0.50863600  1
  O  O32  1  0.99041400  0.48177900  0.74257600  1
  O  O33  1  0.73920200  0.24783800  0.25742400  1
