# generated using pymatgen
data_CuH10SO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97086600
_cell_length_b   6.05717100
_cell_length_c   10.83742682
_cell_angle_alpha   77.61209110
_cell_angle_beta   82.36121667
_cell_angle_gamma   72.98278241
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuH10SO9
_chemical_formula_sum   'Cu2 H20 S2 O18'
_cell_volume   365.03157448
_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
  Cu  Cu0  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu1  1  0.00000000  0.50000000  0.50000000  1.0
  H  H2  1  0.25434000  0.10046700  0.14186900  1.0
  H  H3  1  0.74566000  0.89953300  0.85813100  1.0
  H  H4  1  0.23584800  0.28269500  0.00938700  1.0
  H  H5  1  0.76415200  0.71730500  0.99061300  1.0
  H  H6  1  0.06464700  0.70287100  0.20279200  1.0
  H  H7  1  0.93535300  0.29712900  0.79720800  1.0
  H  H8  1  0.32262800  0.66730700  0.12729200  1.0
  H  H9  1  0.67737200  0.33269300  0.87270800  1.0
  H  H10  1  0.34306200  0.68317400  0.37660700  1.0
  H  H11  1  0.65693800  0.31682600  0.62339300  1.0
  H  H12  1  0.43065500  0.39488900  0.39272900  1.0
  H  H13  1  0.56934500  0.60511100  0.60727100  1.0
  H  H14  1  0.87963100  0.19624600  0.40085300  1.0
  H  H15  1  0.12036900  0.80375400  0.59914700  1.0
  H  H16  1  0.16438600  0.13907700  0.38078000  1.0
  H  H17  1  0.83561400  0.86092300  0.61922000  1.0
  H  H18  1  0.66318700  0.39584600  0.13051200  1.0
  H  H19  1  0.33681300  0.60415400  0.86948800  1.0
  H  H20  1  0.69379800  0.59441900  0.19523300  1.0
  H  H21  1  0.30620200  0.40558100  0.80476700  1.0
  S  S22  1  0.62287600  0.99188200  0.28495100  1.0
  S  S23  1  0.37712400  0.00811800  0.71504900  1.0
  O  O24  1  0.66392600  0.10871000  0.15178000  1.0
  O  O25  1  0.33607400  0.89129000  0.84822000  1.0
  O  O26  1  0.79539200  0.75635500  0.31022500  1.0
  O  O27  1  0.20460800  0.24364500  0.68977500  1.0
  O  O28  1  0.63812900  0.14073200  0.37535500  1.0
  O  O29  1  0.36187100  0.85926800  0.62464500  1.0
  O  O30  1  0.37850700  0.95882700  0.30231500  1.0
  O  O31  1  0.62149300  0.04117300  0.69768500  1.0
  O  O32  1  0.14842400  0.18837700  0.07450700  1.0
  O  O33  1  0.85157600  0.81162300  0.92549300  1.0
  O  O34  1  0.14971000  0.70625100  0.11790300  1.0
  O  O35  1  0.85029000  0.29374900  0.88209700  1.0
  O  O36  1  0.29649500  0.53439100  0.40389100  1.0
  O  O37  1  0.70350500  0.46560900  0.59610900  1.0
  O  O38  1  0.01922300  0.24189400  0.41686100  1.0
  O  O39  1  0.98077700  0.75810600  0.58313900  1.0
  O  O40  1  0.62608000  0.56995600  0.12279500  1.0
  O  O41  1  0.37392000  0.43004400  0.87720500  1.0