# generated using pymatgen
data_LiScH2Se2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.60825876
_cell_length_b   16.04368120
_cell_length_c   17.57084866
_cell_angle_alpha   116.51813296
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiScH2Se2O7
_chemical_formula_sum   'Li8 Sc8 H16 Se16 O56'
_cell_volume   1414.64488509
_cell_formula_units_Z   8
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  0.30735802  0.82585997  0.78280700  1
  Li  Li1  1  0.30735802  0.67414003  0.21719300  1
  Li  Li2  1  0.69264198  0.17414003  0.21719300  1
  Li  Li3  1  0.69264198  0.32585997  0.78280700  1
  Li  Li4  1  0.18489029  0.44988176  0.81213458  1
  Li  Li5  1  0.18489029  0.05011824  0.18786542  1
  Li  Li6  1  0.81510971  0.55011824  0.18786542  1
  Li  Li7  1  0.81510971  0.94988176  0.81213458  1
  Sc  Sc8  1  0.43402500  0.75000000  0.50000000  1
  Sc  Sc9  1  0.56597500  0.25000000  0.50000000  1
  Sc  Sc10  1  0.99880623  0.62779215  0.75626921  1
  Sc  Sc11  1  0.99880623  0.87220785  0.24373079  1
  Sc  Sc12  1  0.00119377  0.37220785  0.24373079  1
  Sc  Sc13  1  0.00119377  0.12779215  0.75626921  1
  Sc  Sc14  1  0.50000000  0.50000000  -0.00000000  1
  Sc  Sc15  1  0.50000000  0.00000000  -0.00000000  1
  H  H16  1  0.92787383  0.34400145  0.67607493  1
  H  H17  1  0.92787383  0.15599855  0.32392507  1
  H  H18  1  0.07212617  0.65599855  0.32392507  1
  H  H19  1  0.07212617  0.84400145  0.67607493  1
  H  H20  1  0.08742834  0.28674773  0.71009541  1
  H  H21  1  0.08742834  0.21325227  0.28990459  1
  H  H22  1  0.91257166  0.71325227  0.28990459  1
  H  H23  1  0.91257166  0.78674773  0.71009541  1
  H  H24  1  0.57998294  0.45842978  0.75415211  1
  H  H25  1  0.57998294  0.04157022  0.24584789  1
  H  H26  1  0.42001706  0.54157022  0.24584789  1
  H  H27  1  0.42001706  0.95842978  0.75415211  1
  H  H28  1  0.43032976  0.37605302  0.68551946  1
  H  H29  1  0.43032976  0.12394698  0.31448054  1
  H  H30  1  0.56967024  0.62394698  0.31448054  1
  H  H31  1  0.56967024  0.87605302  0.68551946  1
  Se  Se32  1  0.50047420  0.63184207  0.64140180  1
  Se  Se33  1  0.50047420  0.86815793  0.35859820  1
  Se  Se34  1  0.49952580  0.36815793  0.35859820  1
  Se  Se35  1  0.49952580  0.13184207  0.64140180  1
  Se  Se36  1  0.06611973  0.40129582  0.56029137  1
  Se  Se37  1  0.06611973  0.09870418  0.43970863  1
  Se  Se38  1  0.93388027  0.59870418  0.43970863  1
  Se  Se39  1  0.93388027  0.90129582  0.56029137  1
  Se  Se40  1  0.00203497  0.86614648  0.94161299  1
  Se  Se41  1  0.00203497  0.63385352  0.05838701  1
  Se  Se42  1  0.99796503  0.13385352  0.05838701  1
  Se  Se43  1  0.99796503  0.36614648  0.94161299  1
  Se  Se44  1  0.49432680  0.63512023  0.87419853  1
  Se  Se45  1  0.49432680  0.86487977  0.12580147  1
  Se  Se46  1  0.50567320  0.36487977  0.12580147  1
  Se  Se47  1  0.50567320  0.13512023  0.87419853  1
  O  O48  1  0.43833748  0.69237423  0.58500461  1
  O  O49  1  0.43833748  0.80762577  0.41499539  1
  O  O50  1  0.56166252  0.30762577  0.41499539  1
  O  O51  1  0.56166252  0.19237423  0.58500461  1
  O  O52  1  0.31059566  0.34777426  0.57880828  1
  O  O53  1  0.31059566  0.15222574  0.42119172  1
  O  O54  1  0.68940434  0.65222574  0.42119172  1
  O  O55  1  0.68940434  0.84777426  0.57880828  1
  O  O56  1  0.83640826  0.34202614  0.57984979  1
  O  O57  1  0.83640826  0.15797386  0.42015021  1
  O  O58  1  0.16359174  0.65797386  0.42015021  1
  O  O59  1  0.16359174  0.84202614  0.57984979  1
  O  O60  1  0.06067136  0.50375121  0.65188122  1
  O  O61  1  0.06067136  0.99624879  0.34811878  1
  O  O62  1  0.93932864  0.49624879  0.34811878  1
  O  O63  1  0.93932864  0.00375121  0.65188122  1
  O  O64  1  0.95132098  0.75862968  0.85988935  1
  O  O65  1  0.95132098  0.74137032  0.14011065  1
  O  O66  1  0.04867902  0.24137032  0.14011065  1
  O  O67  1  0.04867902  0.25862968  0.85988935  1
  O  O68  1  0.69475154  0.57285323  0.79265319  1
  O  O69  1  0.69475154  0.92714677  0.20734681  1
  O  O70  1  0.30524846  0.42714677  0.20734681  1
  O  O71  1  0.30524846  0.07285323  0.79265319  1
  O  O72  1  0.77480243  0.67673607  0.68549131  1
  O  O73  1  0.77480243  0.82326393  0.31450869  1
  O  O74  1  0.22519757  0.32326393  0.31450869  1
  O  O75  1  0.22519757  0.17673607  0.68549131  1
  O  O76  1  0.31203380  0.68718989  0.72871750  1
  O  O77  1  0.31203380  0.81281011  0.27128250  1
  O  O78  1  0.68796620  0.31281011  0.27128250  1
  O  O79  1  0.68796620  0.18718989  0.72871750  1
  O  O80  1  0.22397576  0.58309769  0.83076364  1
  O  O81  1  0.22397576  0.91690231  0.16923636  1
  O  O82  1  0.77602424  0.41690231  0.16923636  1
  O  O83  1  0.77602424  0.08309769  0.83076364  1
  O  O84  1  0.54523959  0.58657695  0.94188732  1
  O  O85  1  0.54523959  0.91342305  0.05811268  1
  O  O86  1  0.45476041  0.41342305  0.05811268  1
  O  O87  1  0.45476041  0.08657695  0.94188732  1
  O  O88  1  0.79879993  0.93573058  0.92007864  1
  O  O89  1  0.79879993  0.56426942  0.07992136  1
  O  O90  1  0.20120007  0.06426942  0.07992136  1
  O  O91  1  0.20120007  0.43573058  0.92007864  1
  O  O92  1  0.26430761  0.89713253  0.90832966  1
  O  O93  1  0.26430761  0.60286747  0.09167034  1
  O  O94  1  0.73569239  0.10286747  0.09167034  1
  O  O95  1  0.73569239  0.39713253  0.90832966  1
  O  O96  1  0.98989381  0.34431810  0.72939214  1
  O  O97  1  0.98989381  0.15568190  0.27060786  1
  O  O98  1  0.01010619  0.65568190  0.27060786  1
  O  O99  1  0.01010619  0.84431810  0.72939214  1
  O  O100  1  0.48909061  0.40120781  0.74477162  1
  O  O101  1  0.48909061  0.09879219  0.25522838  1
  O  O102  1  0.51090939  0.59879219  0.25522838  1
  O  O103  1  0.51090939  0.90120781  0.74477162  1
