# generated using pymatgen
data_LiMnH8(SO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.31702414
_cell_length_b   11.77031402
_cell_length_c   11.57050967
_cell_angle_alpha   65.75783098
_cell_angle_beta   90.00000000
_cell_angle_gamma   113.31493268
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMnH8(SO6)2
_chemical_formula_sum   'Li4 Mn4 H32 S8 O48'
_cell_volume   1042.30444005
_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  0.24511904  0.27243901  0.78919159  1
  Li  Li1  1  0.43365940  0.73576822  0.20308183  1
  Li  Li2  1  0.97268003  0.72756099  0.71080841  1
  Li  Li3  1  0.69789218  0.26423178  0.29691817  1
  Mn  Mn4  1  0.00205232  0.49807245  0.00142945  1
  Mn  Mn5  1  0.24845349  -0.00000000  0.25000000  1
  Mn  Mn6  1  0.50397988  0.50192755  0.49857055  1
  Mn  Mn7  1  0.74537828  0.00000000  0.75000000  1
  H  H8  1  0.99668674  0.96090950  0.83178983  1
  H  H9  1  0.09315966  0.72934120  0.46137414  1
  H  H10  1  0.11163524  0.72548689  0.32528807  1
  H  H11  1  0.25855274  0.73695251  0.95651074  1
  H  H12  1  0.02052709  0.25747687  0.03021407  1
  H  H13  1  0.46318967  0.97052838  0.83021317  1
  H  H14  1  0.29148523  0.60701500  0.04004790  1
  H  H15  1  0.19306845  0.38835174  0.47258662  1
  H  H16  1  0.19196705  0.38572316  0.96033370  1
  H  H17  1  0.31215720  0.60724614  0.52948449  1
  H  H18  1  0.49756992  0.95737499  0.33217240  1
  H  H19  1  0.03577824  0.03909050  0.66821017  1
  H  H20  1  0.24070549  0.26449941  0.52635943  1
  H  H21  1  0.47835856  0.73548635  0.46220400  1
  H  H22  1  0.36381746  0.27065880  0.03862586  1
  H  H23  1  0.59137316  0.72640659  0.82661796  1
  H  H24  1  0.38614836  0.27451311  0.17471193  1
  H  H25  1  0.64063910  0.72832141  0.96014645  1
  H  H26  1  0.52160023  0.26304749  0.54348926  1
  H  H27  1  0.76304922  0.74252313  0.46978593  1
  H  H28  1  0.96753180  0.97639048  0.32891917  1
  H  H29  1  0.49266029  0.02947162  0.66978683  1
  H  H30  1  0.68447123  0.39298500  0.45995210  1
  H  H31  1  0.80471671  0.61164826  0.02741338  1
  H  H32  1  0.80624389  0.61427684  0.53966630  1
  H  H33  1  0.70491106  0.39275386  0.97051551  1
  H  H34  1  0.54019493  0.04262501  0.16782760  1
  H  H35  1  0.97620608  0.73550059  0.97364057  1
  H  H36  1  0.74287221  0.26451365  0.03779600  1
  H  H37  1  0.86496557  0.27359341  0.67338204  1
  H  H38  1  0.91231768  0.27167859  0.53985355  1
  H  H39  1  0.99114132  0.02360952  0.17108083  1
  S  S40  1  0.22361539  0.96665340  0.96902930  1
  S  S41  1  0.01806300  0.51599538  0.71036635  1
  S  S42  1  0.50647229  0.52392239  0.21006712  1
  S  S43  1  0.25696199  0.03334660  0.53097070  1
  S  S44  1  0.72190088  0.97096851  0.46704095  1
  S  S45  1  0.50206761  0.48400462  0.78963365  1
  S  S46  1  0.98254990  0.47607761  0.28993288  1
  S  S47  1  0.75093237  0.02903149  0.03295905  1
  O  O48  1  0.05741425  0.89021300  0.95502646  1
  O  O49  1  0.17161559  0.88670464  0.62204211  1
  O  O50  1  0.01775136  0.56653281  0.81574806  1
  O  O51  1  0.21877873  0.94506179  0.10534174  1
  O  O52  1  0.15462275  0.78344272  0.37099326  1
  O  O53  1  0.08058474  0.62491897  0.23859995  1
  O  O54  1  0.03864854  0.39477418  0.39914014  1
  O  O55  1  0.32534965  0.90267217  0.94734458  1
  O  O56  1  0.17971336  0.54060303  0.66792339  1
  O  O57  1  0.23588934  0.64190104  0.96937198  1
  O  O58  1  0.08885458  0.35380597  0.01517283  1
  O  O59  1  0.04247985  0.00000000  0.25000000  1
  O  O60  1  0.26253940  0.35450599  0.52893273  1
  O  O61  1  0.40643956  0.64546136  0.46029495  1
  O  O62  1  0.37654191  0.56756282  0.17171085  1
  O  O63  1  0.16720124  0.10978700  0.54497354  1
  O  O64  1  0.55866078  0.88724884  0.45260008  1
  O  O65  1  0.35328768  0.38488676  0.89295206  1
  O  O66  1  0.53025493  0.62794108  0.74040941  1
  O  O67  1  0.28491095  0.11329536  0.87795789  1
  O  O68  1  0.45121855  0.43346719  0.68425194  1
  O  O69  1  0.63164390  0.78575331  0.87146564  1
  O  O70  1  0.27371694  0.05493821  0.39465826  1
  O  O71  1  0.71483583  0.94607202  0.60422109  1
  O  O72  1  0.37118003  0.21655728  0.12900674  1
  O  O73  1  0.56286005  0.57246735  0.31400505  1
  O  O74  1  0.65473963  0.88245528  0.12133980  1
  O  O75  1  0.45566577  0.37508103  0.26140005  1
  O  O76  1  0.64387436  0.60522582  0.10085986  1
  O  O77  1  0.42267749  0.09732783  0.55265542  1
  O  O78  1  0.83247908  0.91573232  0.44238509  1
  O  O79  1  0.63911033  0.45939697  0.83207661  1
  O  O80  1  0.59398830  0.35809896  0.53062802  1
  O  O81  1  0.73504861  0.64619403  0.48482717  1
  O  O82  1  0.45804041  -0.00000000  0.25000000  1
  O  O83  1  0.53921653  0.00000000  0.75000000  1
  O  O84  1  0.90803342  0.64549401  0.97106727  1
  O  O85  1  0.76097719  0.35453864  0.03970505  1
  O  O86  1  0.80897908  0.43243718  0.32828915  1
  O  O87  1  0.67141194  0.11275116  0.04739992  1
  O  O88  1  0.96840092  0.61511324  0.60704794  1
  O  O89  1  0.90231384  0.37205892  0.75959059  1
  O  O90  1  0.84589059  0.21424669  0.62853436  1
  O  O91  1  0.76876281  0.05392798  0.89577891  1
  O  O92  1  0.99039269  0.42753265  0.18599495  1
  O  O93  1  0.77228435  0.11754472  0.37866020  1
  O  O94  1  0.91674576  0.08426768  0.05761491  1
  O  O95  1  0.95528678  0.00000000  0.75000000  1
