# generated using pymatgen
data_MnH22C14N2Cl2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.34388088
_cell_length_b   9.33915663
_cell_length_c   13.02157571
_cell_angle_alpha   110.02031485
_cell_angle_beta   90.00032455
_cell_angle_gamma   89.99988296
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnH22C14N2Cl2O
_chemical_formula_sum   'Mn2 H44 C28 N4 Cl4 O2'
_cell_volume   839.12481238
_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
  Mn  Mn0  1  0.63428997  0.45793137  0.74682192  1
  Mn  Mn1  1  0.13428866  0.54206848  0.25317741  1
  H  H2  1  0.17648573  0.65336728  0.59460308  1
  H  H3  1  0.67648774  0.34663552  0.40539936  1
  H  H4  1  0.88487868  0.52041266  0.58727953  1
  H  H5  1  0.38487304  0.47957780  0.41271857  1
  H  H6  1  0.95085761  0.51812870  0.90583539  1
  H  H7  1  0.45085574  0.48187385  0.09416655  1
  H  H8  1  0.25254247  0.64013500  0.92263718  1
  H  H9  1  0.75254255  0.35987118  0.07736657  1
  H  H10  1  0.13773708  0.90580484  0.74909405  1
  H  H11  1  0.63773577  0.09419342  0.25090540  1
  H  H12  1  0.27481621  0.04125727  0.71515196  1
  H  H13  1  0.77481786  0.95874191  0.28484700  1
  H  H14  1  0.36795372  0.15691315  0.91146157  1
  H  H15  1  0.86795469  0.84308742  0.08853871  1
  H  H16  1  0.30687357  0.93545470  0.97372877  1
  H  H17  1  0.80687410  0.06454579  0.02627068  1
  H  H18  1  0.07121112  0.94991909  0.95195179  1
  H  H19  1  0.57121136  0.05008072  0.04804627  1
  H  H20  1  0.18605675  0.10065400  0.05390634  1
  H  H21  1  0.68605764  0.89934581  0.94609246  1
  H  H22  1  0.08086376  0.29699942  0.97054006  1
  H  H23  1  0.58086615  0.70300050  0.02945564  1
  H  H24  1  0.95718678  0.15420421  0.86810377  1
  H  H25  1  0.45718725  0.84579407  0.13189125  1
  H  H26  1  0.12431603  0.26478348  0.83000235  1
  H  H27  1  0.62431618  0.73521397  0.16999364  1
  H  H28  1  0.70505698  0.87925009  0.76063297  1
  H  H29  1  0.20505583  0.12074892  0.23936685  1
  H  H30  1  0.60416414  0.06360826  0.80268291  1
  H  H31  1  0.10416127  0.93639176  0.19731752  1
  H  H32  1  0.51863985  0.03480009  0.61707927  1
  H  H33  1  0.01864084  0.96520073  0.38292115  1
  H  H34  1  0.82197212  0.02673234  0.53790786  1
  H  H35  1  0.32197577  0.97326950  0.46209228  1
  H  H36  1  0.91394811  0.93439024  0.62487322  1
  H  H37  1  0.41394873  0.06561009  0.37512601  1
  H  H38  1  0.82876879  0.12460048  0.68128419  1
  H  H39  1  0.32876919  0.87540048  0.31871636  1
  H  H40  1  0.60869376  0.80330235  0.45801300  1
  H  H41  1  0.10869625  0.19669787  0.54198742  1
  H  H42  1  0.44433830  0.75853356  0.54303909  1
  H  H43  1  0.94433855  0.24146615  0.45696117  1
  H  H44  1  0.67694079  0.71037598  0.54991062  1
  H  H45  1  0.17694023  0.28962539  0.45009054  1
  C  C46  1  0.23777278  0.66303084  0.76127805  1
  C  C47  1  0.73777352  0.33697241  0.23872429  1
  C  C48  1  0.13260796  0.62696842  0.66607930  1
  C  C49  1  0.63260891  0.37303289  0.33392260  1
  C  C50  1  0.96890973  0.55045143  0.66058371  1
  C  C51  1  0.46890677  0.44954602  0.33941642  1
  C  C52  1  0.00632713  0.54809144  0.83829324  1
  C  C53  1  0.50632573  0.45191095  0.16170789  1
  C  C54  1  0.17505775  0.61859579  0.84756164  1
  C  C55  1  0.67505831  0.38140838  0.15244062  1
  C  C56  1  0.41574670  0.74243632  0.76905735  1
  C  C57  1  0.91574523  0.25756510  0.23094500  1
  C  C58  1  0.25945480  0.97875413  0.77246518  1
  C  C59  1  0.75945424  0.02124552  0.22753427  1
  C  C60  1  0.23827315  0.09411447  0.88935623  1
  C  C61  1  0.73827405  0.90588605  0.11064325  1
  C  C62  1  0.19856751  0.01540693  0.97184078  1
  C  C63  1  0.69856832  0.98459320  0.02815812  1
  C  C64  1  0.09104292  0.20898681  0.88932927  1
  C  C65  1  0.59104410  0.79101235  0.11066715  1
  C  C66  1  0.59545693  0.94707970  0.74327340  1
  C  C67  1  0.09545580  0.05292055  0.25672707  1
  C  C68  1  0.61813046  0.95225005  0.62731873  1
  C  C69  1  0.11813126  0.04775034  0.37268178  1
  C  C70  1  0.80746950  0.01307257  0.61782786  1
  C  C71  1  0.30747081  0.98692858  0.38217223  1
  C  C72  1  0.58466517  0.79723750  0.53967212  1
  C  C73  1  0.08466620  0.20276280  0.46032821  1
  N  N74  1  0.90573247  0.51381773  0.74598418  1
  N  N75  1  0.40573034  0.48618086  0.25401604  1
  N  N76  1  0.42031670  0.88070113  0.75879128  1
  N  N77  1  0.92031484  0.11929995  0.24120934  1
  Cl  Cl78  1  0.53526067  0.31941986  0.57331631  1
  Cl  Cl79  1  0.03526095  0.68057838  0.42668281  1
  Cl  Cl80  1  0.58494491  0.36587152  0.88802653  1
  Cl  Cl81  1  0.08494538  0.63412600  0.11197121  1
  O  O82  1  0.56392572  0.68208959  0.78557661  1
  O  O83  1  0.06392606  0.31791093  0.21442505  1
