# generated using pymatgen
data_Li4MnH6(S2O9)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.54007500
_cell_length_b   10.29308800
_cell_length_c   19.58856400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4MnH6(S2O9)2
_chemical_formula_sum   'Li16 Mn4 H24 S16 O72'
_cell_volume   1520.28129238
_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  0.03451200  0.21048200  0.83710000  1
  Li  Li1  1  0.03451200  0.71048200  0.66290000  1
  Li  Li2  1  0.14473400  0.22424200  0.02185900  1
  Li  Li3  1  0.14473400  0.72424200  0.47814100  1
  Li  Li4  1  0.35526600  0.72424200  0.02185900  1
  Li  Li5  1  0.35526600  0.22424200  0.47814100  1
  Li  Li6  1  0.46548800  0.71048200  0.83710000  1
  Li  Li7  1  0.46548800  0.21048200  0.66290000  1
  Li  Li8  1  0.53451200  0.78951800  0.33710000  1
  Li  Li9  1  0.53451200  0.28951800  0.16290000  1
  Li  Li10  1  0.64473400  0.27575800  0.97814100  1
  Li  Li11  1  0.64473400  0.77575800  0.52185900  1
  Li  Li12  1  0.85526600  0.27575800  0.52185900  1
  Li  Li13  1  0.85526600  0.77575800  0.97814100  1
  Li  Li14  1  0.96548800  0.28951800  0.33710000  1
  Li  Li15  1  0.96548800  0.78951800  0.16290000  1
  Mn  Mn16  1  0.25000000  0.15324700  0.25000000  1
  Mn  Mn17  1  0.25000000  0.65324700  0.25000000  1
  Mn  Mn18  1  0.75000000  0.34675300  0.75000000  1
  Mn  Mn19  1  0.75000000  0.84675300  0.75000000  1
  H  H20  1  0.06331300  0.43901400  0.77974200  1
  H  H21  1  0.06331300  0.93901400  0.72025800  1
  H  H22  1  0.09749900  0.34900800  0.71597800  1
  H  H23  1  0.09749900  0.84900800  0.78402200  1
  H  H24  1  0.09234000  0.05869100  0.55897000  1
  H  H25  1  0.09234000  0.55869100  0.94103000  1
  H  H26  1  0.40766000  0.55869100  0.55897000  1
  H  H27  1  0.40766000  0.05869100  0.94103000  1
  H  H28  1  0.40250100  0.84900800  0.71597800  1
  H  H29  1  0.40250100  0.34900800  0.78402200  1
  H  H30  1  0.43668700  0.43901400  0.72025800  1
  H  H31  1  0.43668700  0.93901400  0.77974200  1
  H  H32  1  0.56331300  0.06098600  0.22025800  1
  H  H33  1  0.56331300  0.56098600  0.27974200  1
  H  H34  1  0.59749900  0.65099200  0.21597800  1
  H  H35  1  0.59749900  0.15099200  0.28402200  1
  H  H36  1  0.59234000  0.94130900  0.05897000  1
  H  H37  1  0.59234000  0.44130900  0.44103000  1
  H  H38  1  0.90766000  0.44130900  0.05897000  1
  H  H39  1  0.90766000  0.94130900  0.44103000  1
  H  H40  1  0.90250100  0.65099200  0.28402200  1
  H  H41  1  0.90250100  0.15099200  0.21597800  1
  H  H42  1  0.93668700  0.56098600  0.22025800  1
  H  H43  1  0.93668700  0.06098600  0.27974200  1
  S  S44  1  0.14253900  0.40781400  0.15295900  1
  S  S45  1  0.14253900  0.90781400  0.34704000  1
  S  S46  1  0.22004500  0.39714600  0.57247200  1
  S  S47  1  0.22004500  0.89714600  0.92752800  1
  S  S48  1  0.27995500  0.39714600  0.92752800  1
  S  S49  1  0.27995500  0.89714600  0.57247200  1
  S  S50  1  0.35746100  0.90781400  0.15295900  1
  S  S51  1  0.35746100  0.40781400  0.34704000  1
  S  S52  1  0.64253900  0.59218600  0.65296000  1
  S  S53  1  0.64253900  0.09218600  0.84704000  1
  S  S54  1  0.72004500  0.60285400  0.07247200  1
  S  S55  1  0.72004500  0.10285400  0.42752800  1
  S  S56  1  0.77995500  0.10285400  0.07247200  1
  S  S57  1  0.77995500  0.60285400  0.42752800  1
  S  S58  1  0.85746100  0.09218600  0.65296000  1
  S  S59  1  0.85746100  0.59218600  0.84704000  1
  O  O60  1  0.01374900  0.09652100  0.69890900  1
  O  O61  1  0.01374900  0.59652100  0.80109100  1
  O  O62  1  0.04723700  0.34785800  0.76269000  1
  O  O63  1  0.04723700  0.84785800  0.73731000  1
  O  O64  1  0.12235900  0.81264300  0.58263800  1
  O  O65  1  0.12235900  0.31264300  0.91736200  1
  O  O66  1  0.08628000  0.37934700  0.08146600  1
  O  O67  1  0.08628000  0.87934700  0.41853400  1
  O  O68  1  0.10402400  0.34070800  0.52020600  1
  O  O69  1  0.10402400  0.84070800  0.97979400  1
  O  O70  1  0.13077200  0.43109600  0.63639600  1
  O  O71  1  0.13077200  0.93109600  0.86360400  1
  O  O72  1  0.21276200  0.02830800  0.53929600  1
  O  O73  1  0.21276200  0.52830800  0.96070400  1
  O  O74  1  0.27610400  0.80584500  0.32727600  1
  O  O75  1  0.27610400  0.30584500  0.17272400  1
  O  O76  1  0.23064600  0.03681800  0.34316900  1
  O  O77  1  0.23064600  0.53681800  0.15683100  1
  O  O78  1  0.26935400  0.03681800  0.15683100  1
  O  O79  1  0.26935400  0.53681800  0.34316900  1
  O  O80  1  0.22389600  0.80584500  0.17272400  1
  O  O81  1  0.22389600  0.30584500  0.32727600  1
  O  O82  1  0.28723800  0.52830800  0.53929600  1
  O  O83  1  0.28723800  0.02830800  0.96070400  1
  O  O84  1  0.36922800  0.43109600  0.86360400  1
  O  O85  1  0.36922800  0.93109600  0.63639600  1
  O  O86  1  0.39597600  0.84070800  0.52020600  1
  O  O87  1  0.39597600  0.34070800  0.97979400  1
  O  O88  1  0.41372000  0.87934700  0.08146600  1
  O  O89  1  0.41372000  0.37934700  0.41853400  1
  O  O90  1  0.37764100  0.31264300  0.58263800  1
  O  O91  1  0.37764100  0.81264300  0.91736200  1
  O  O92  1  0.45276300  0.34785800  0.73731000  1
  O  O93  1  0.45276300  0.84785800  0.76269000  1
  O  O94  1  0.48625100  0.09652100  0.80109100  1
  O  O95  1  0.48625100  0.59652100  0.69890900  1
  O  O96  1  0.51374900  0.90347900  0.19890900  1
  O  O97  1  0.51374900  0.40347900  0.30109100  1
  O  O98  1  0.54723700  0.65214200  0.26269000  1
  O  O99  1  0.54723700  0.15214200  0.23731000  1
  O  O100  1  0.62235900  0.18735700  0.08263800  1
  O  O101  1  0.62235900  0.68735700  0.41736200  1
  O  O102  1  0.58628000  0.62065300  0.58146600  1
  O  O103  1  0.58628000  0.12065300  0.91853400  1
  O  O104  1  0.60402400  0.65929200  0.02020600  1
  O  O105  1  0.60402400  0.15929200  0.47979400  1
  O  O106  1  0.63077200  0.56890400  0.13639600  1
  O  O107  1  0.63077200  0.06890400  0.36360400  1
  O  O108  1  0.71276200  0.97169200  0.03929600  1
  O  O109  1  0.71276200  0.47169200  0.46070400  1
  O  O110  1  0.77610400  0.19415500  0.82727600  1
  O  O111  1  0.77610400  0.69415500  0.67272400  1
  O  O112  1  0.73064600  0.46318200  0.65683100  1
  O  O113  1  0.73064600  0.96318200  0.84316900  1
  O  O114  1  0.76935400  0.46318200  0.84316900  1
  O  O115  1  0.76935400  0.96318200  0.65683100  1
  O  O116  1  0.72389600  0.19415500  0.67272400  1
  O  O117  1  0.72389600  0.69415500  0.82727600  1
  O  O118  1  0.78723800  0.47169200  0.03929600  1
  O  O119  1  0.78723800  0.97169200  0.46070400  1
  O  O120  1  0.86922800  0.06890400  0.13639600  1
  O  O121  1  0.86922800  0.56890400  0.36360400  1
  O  O122  1  0.89597600  0.65929200  0.47979400  1
  O  O123  1  0.89597600  0.15929200  0.02020600  1
  O  O124  1  0.91372000  0.12065300  0.58146600  1
  O  O125  1  0.91372000  0.62065300  0.91853400  1
  O  O126  1  0.87764100  0.68735700  0.08263800  1
  O  O127  1  0.87764100  0.18735700  0.41736200  1
  O  O128  1  0.95276300  0.65214200  0.23731000  1
  O  O129  1  0.95276300  0.15214200  0.26269000  1
  O  O130  1  0.98625100  0.40347900  0.19890900  1
  O  O131  1  0.98625100  0.90347900  0.30109100  1
