# generated using pymatgen
data_MnCr2H8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.84328775
_cell_length_b   10.85170878
_cell_length_c   11.12450947
_cell_angle_alpha   88.60602953
_cell_angle_beta   88.19394016
_cell_angle_gamma   63.79846382
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCr2H8C14(NO)6
_chemical_formula_sum   'Mn2 Cr4 H16 C28 N12 O12'
_cell_volume   1173.83405402
_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
  Cr  Cr0  1  0.91665938  0.08870194  0.25210081  1
  Cr  Cr1  1  0.08333919  0.91129949  0.74789886  1
  Cr  Cr2  1  0.85159732  0.99850685  -0.01367715  1
  Mn  Mn3  1  0.00550470  0.15167768  0.51035225  1
  Cr  Cr4  1  0.14840445  0.00149103  1.01367721  1
  Mn  Mn5  1  0.99449277  0.84832537  0.48964860  1
  H  H6  1  0.54807633  0.17236077  0.40258509  1
  H  H7  1  0.81986278  0.46757793  0.08951447  1
  H  H8  1  0.45192373  0.82763780  0.59741522  1
  H  H9  1  0.18014209  0.53242113  0.91048275  1
  H  H10  1  0.34818698  0.15484717  0.50522181  1
  H  H11  1  0.83228360  0.67107469  0.99009203  1
  H  H12  1  0.65181228  0.84515273  0.49477882  1
  H  H13  1  0.16772575  0.32892209  0.00990517  1
  H  H14  1  0.42778029  0.08291862  0.05860838  1
  H  H15  1  0.94106263  0.56821402  0.42775905  1
  H  H16  1  0.57222228  0.91707607  0.94139295  1
  H  H17  1  0.05892598  0.43179259  0.57224304  1
  H  H18  1  0.90871266  0.20601094  0.05516961  1
  H  H19  1  0.78594074  0.11001498  0.44613413  1
  H  H20  1  0.09128816  0.79398798  0.94482891  1
  H  H21  1  0.21405697  0.88998924  0.55386366  1
  C  C22  1  0.63431461  0.11835349  0.16935239  1
  C  C23  1  0.88930211  0.37288624  0.32111072  1
  C  C24  1  0.36568441  0.88164262  0.83064539  1
  C  C25  1  0.11069701  0.62711552  0.67888849  1
  C  C26  1  0.50636977  0.12111540  0.22523654  1
  C  C27  1  0.88556353  0.50055226  0.26386805  1
  C  C28  1  0.49363147  0.87888168  0.77476413  1
  C  C29  1  0.11443532  0.49944922  0.73613122  1
  C  C30  1  0.47930515  0.14610856  0.35087138  1
  C  C31  1  0.85120360  0.53300787  0.14088723  1
  C  C32  1  0.52069598  0.85388980  0.64912791  1
  C  C33  1  0.14879953  0.46699153  0.85911096  1
  C  C34  1  0.36796841  0.13729406  0.40911518  1
  C  C35  1  0.85675923  0.64683690  0.08454732  1
  C  C36  1  0.63203235  0.86270525  0.59088479  1
  C  C37  1  0.14324626  0.35316165  0.91545095  1
  C  C38  1  0.28082421  0.10462683  0.33973520  1
  C  C39  1  0.89702629  0.72919015  0.15292575  1
  C  C40  1  0.71917609  0.89537274  0.66026604  1
  C  C41  1  0.10297704  0.27080903  0.84707369  1
  C  C42  1  0.30218223  0.08799024  0.21460483  1
  C  C43  1  0.92984346  0.69830367  0.27455282  1
  C  C44  1  0.69781788  0.91200699  0.78539641  1
  C  C45  1  0.07015294  0.30169900  0.72544833  1
  C  C46  1  0.41377802  0.09654432  0.15532173  1
  C  C47  1  0.92042897  0.58677958  0.33247031  1
  C  C48  1  0.58622236  0.90345196  0.84467857  1
  C  C49  1  0.07956515  0.41322403  0.66753087  1
  N  N50  1  0.17009264  0.07973606  0.37084235  1
  N  N51  1  0.91887902  0.84251692  0.12482644  1
  N  N52  1  0.82990650  0.92026462  0.62915788  1
  N  N53  1  0.08112512  0.15748145  0.87517330  1
  N  N54  1  0.12203155  0.05249147  0.27063845  1
  N  N55  1  0.96023582  0.88138280  0.22383303  1
  N  N56  1  0.87796761  0.94750805  0.72936201  1
  N  N57  1  0.03976322  0.11861836  0.77616825  1
  N  N58  1  0.19941694  0.05931809  0.17429738  1
  N  N59  1  0.97184767  0.79261367  0.31414931  1
  N  N60  1  0.80058418  0.94067921  0.82570288  1
  N  N61  1  0.02814568  0.20739070  0.68585318  1
  O  O62  1  0.94479326  0.10842738  0.07540798  1
  O  O63  1  0.88472422  0.06801820  0.42836117  1
  O  O64  1  0.05520780  0.89157180  0.92459157  1
  O  O65  1  0.11527381  0.93198473  0.57163851  1
  O  O66  1  0.71304273  0.14195705  0.23905658  1
  O  O67  1  0.86210146  0.29403158  0.25335820  1
  O  O68  1  0.28695857  0.85804200  0.76094428  1
  O  O69  1  0.13789859  0.70596910  0.74663987  1
  O  O70  1  0.65922436  0.09172843  0.05708558  1
  O  O71  1  0.92185794  0.34853099  0.43096307  1
  O  O72  1  0.34077732  0.90826749  0.94291462  1
  O  O73  1  0.07814001  0.65147089  0.56903558  1
