# generated using pymatgen
data_MnCrNiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.84053500
_cell_length_b   10.82911124
_cell_length_c   10.97793459
_cell_angle_alpha   88.95657874
_cell_angle_beta   88.76893784
_cell_angle_gamma   63.87957500
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCrNiH8C14(NO)6
_chemical_formula_sum   'Mn2 Cr2 Ni2 H16 C28 N12 O12'
_cell_volume   1156.79677563
_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  0.90866409  0.09497617  0.25527064  1
  Cr  Cr1  1  0.09133520  0.90502554  0.74472814  1
  Mn  Mn2  1  0.84885782  0.99708403  -0.00830209  1
  Ni  Ni3  1  0.01799190  0.14372528  0.50939586  1
  Mn  Mn4  1  0.15114238  0.00291600  1.00830242  1
  Ni  Ni5  1  0.98200564  0.85627795  0.49060458  1
  H  H6  1  0.53785464  0.17265623  0.42003503  1
  H  H7  1  0.82818390  0.46171511  0.09671979  1
  H  H8  1  0.46214810  0.82733732  0.57996690  1
  H  H9  1  0.17182069  0.53828418  0.90327681  1
  H  H10  1  0.33297034  0.16160376  0.51842778  1
  H  H11  1  0.84500092  0.66295558  0.99615197  1
  H  H12  1  0.66702996  0.83839429  0.48157377  1
  H  H13  1  0.15500823  0.33704228  0.00384542  1
  H  H14  1  0.42754974  0.07216104  0.07049854  1
  H  H15  1  0.92410140  0.57744698  0.44588950  1
  H  H16  1  0.57245180  0.92783442  0.92950339  1
  H  H17  1  0.07588563  0.42255724  0.55411051  1
  H  H18  1  0.89151765  0.21569255  0.05580782  1
  H  H19  1  0.79595850  0.12551423  0.46155727  1
  H  H20  1  0.10848242  0.78430772  0.94419044  1
  H  H21  1  0.20403944  0.87448893  0.53844109  1
  C  C22  1  0.62686804  0.11581225  0.18196262  1
  C  C23  1  0.88639488  0.37228247  0.33170458  1
  C  C24  1  0.37313288  0.88418371  0.81803838  1
  C  C25  1  0.11360393  0.62771942  0.66829474  1
  C  C26  1  0.49931899  0.11850389  0.23964302  1
  C  C27  1  0.88318790  0.50140795  0.27634525  1
  C  C28  1  0.50068228  0.88149216  0.76035889  1
  C  C29  1  0.11681063  0.49859371  0.72365275  1
  C  C30  1  0.46925498  0.14691945  0.36581335  1
  C  C31  1  0.85579694  0.52966441  0.15004745  1
  C  C32  1  0.53074618  0.85307607  0.63418831  1
  C  C33  1  0.14420589  0.47033492  0.84994982  1
  C  C34  1  0.35517144  0.14126987  0.42165607  1
  C  C35  1  0.86416726  0.64160297  0.09297572  1
  C  C36  1  0.64482925  0.85872767  0.57834477  1
  C  C37  1  0.13583849  0.35839553  0.90702232  1
  C  C38  1  0.26973873  0.10593376  0.35026450  1
  C  C39  1  0.89917637  0.72718627  0.16434384  1
  C  C40  1  0.73026010  0.89406622  0.64973653  1
  C  C41  1  0.10082806  0.27281235  0.83565552  1
  C  C42  1  0.29833273  0.07981709  0.22532156  1
  C  C43  1  0.91947910  0.70443945  0.29038884  1
  C  C44  1  0.70166652  0.92018162  0.77467965  1
  C  C45  1  0.08051790  0.29556314  0.70961129  1
  C  C46  1  0.41041891  0.08906914  0.16788948  1
  C  C47  1  0.90995052  0.59243740  0.34808358  1
  C  C48  1  0.58958223  0.91092727  0.83211117  1
  C  C49  1  0.09004388  0.40756555  0.65191642  1
  N  N50  1  0.15606413  0.08381006  0.37694236  1
  N  N51  1  0.92228946  0.83832293  0.13380851  1
  N  N52  1  0.84393305  0.91619302  0.62305721  1
  N  N53  1  0.07772005  0.16167301  0.86619046  1
  N  N54  1  0.11689979  0.04623172  0.27417826  1
  N  N55  1  0.95058248  0.88672814  0.23573517  1
  N  N56  1  0.88309764  0.95377137  0.72582138  1
  N  N57  1  0.04941849  0.11327216  0.76426530  1
  N  N58  1  0.20279807  0.04147064  0.18235608  1
  N  N59  1  0.95117546  0.80673059  0.33145174  1
  N  N60  1  0.79719985  0.95853059  0.81764391  1
  N  N61  1  0.04881980  0.19327239  0.66854956  1
  O  O62  1  0.93211980  0.11739276  0.07470734  1
  O  O63  1  0.89080488  0.07463869  0.43304048  1
  O  O64  1  0.06787938  0.88260987  0.92529081  1
  O  O65  1  0.10919420  0.92536426  0.56695871  1
  O  O66  1  0.70485730  0.14448353  0.25084019  1
  O  O67  1  0.85641339  0.29730763  0.25933768  1
  O  O68  1  0.29514226  0.85551585  0.74915972  1
  O  O69  1  0.14358541  0.70269449  0.74066250  1
  O  O70  1  0.65070610  0.08320949  0.07022596  1
  O  O71  1  0.91940138  0.34449045  0.44229868  1
  O  O72  1  0.34929576  0.91678382  0.92977608  1
  O  O73  1  0.08059702  0.65551284  0.55770041  1
