# generated using pymatgen
data_MnV2H8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.88647462
_cell_length_b   10.87934514
_cell_length_c   10.91321533
_cell_angle_alpha   89.13389825
_cell_angle_beta   88.94024958
_cell_angle_gamma   63.71151483
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnV2H8C14(NO)6
_chemical_formula_sum   'Mn2 V4 H16 C28 N12 O12'
_cell_volume   1158.62352049
_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
  V  V0  1  0.91045112  0.08993610  0.24939194  1
  V  V1  1  0.08954692  0.91006635  0.75060635  1
  Mn  Mn2  1  0.84783786  0.99553730  -0.00913272  1
  V  V3  1  0.01211455  0.14685902  0.50384650  1
  Mn  Mn4  1  0.15216428  0.00446132  1.00913243  1
  V  V5  1  0.98788155  0.85314527  0.49615387  1
  H  H6  1  0.53975535  0.17359817  0.41723529  1
  H  H7  1  0.82898526  0.46389225  0.09142389  1
  H  H8  1  0.46024765  0.82639256  0.58276797  1
  H  H9  1  0.17101849  0.53610790  0.90857373  1
  H  H10  1  0.33862043  0.16201560  0.52023739  1
  H  H11  1  0.84402360  0.66603461  0.99441401  1
  H  H12  1  0.66137877  0.83798181  0.47976359  1
  H  H13  1  0.15598495  0.33396417  0.00558320  1
  H  H14  1  0.42309943  0.07373021  0.06801360  1
  H  H15  1  0.92293814  0.57533197  0.44627389  1
  H  H16  1  0.57690269  0.92626501  0.93198910  1
  H  H17  1  0.07705246  0.42467411  0.55372570  1
  H  H18  1  0.88457496  0.21982042  0.04882567  1
  H  H19  1  0.78757902  0.12332663  0.46619834  1
  H  H20  1  0.11542637  0.78017957  0.95117216  1
  H  H21  1  0.21241850  0.87667752  0.53379843  1
  C  C22  1  0.62385847  0.11729791  0.17797564  1
  C  C23  1  0.88043156  0.37629297  0.32928765  1
  C  C24  1  0.37614368  0.88269598  0.82202684  1
  C  C25  1  0.11956537  0.62371066  0.67071025  1
  C  C26  1  0.49747836  0.12010085  0.23658841  1
  C  C27  1  0.88091405  0.50229606  0.27434792  1
  C  C28  1  0.50252362  0.87989368  0.76341427  1
  C  C29  1  0.11908441  0.49770623  0.72565010  1
  C  C30  1  0.47066368  0.14801793  0.36378026  1
  C  C31  1  0.85529124  0.53105348  0.14713543  1
  C  C32  1  0.52933879  0.85197611  0.63622233  1
  C  C33  1  0.14471144  0.46894736  0.85286227  1
  C  C34  1  0.35805519  0.14308744  0.42232777  1
  C  C35  1  0.86298237  0.64344683  0.09163962  1
  C  C36  1  0.64194432  0.85690964  0.57767488  1
  C  C37  1  0.13702319  0.35655242  0.90835777  1
  C  C38  1  0.27086097  0.11033121  0.35143568  1
  C  C39  1  0.89679496  0.72858536  0.16510491  1
  C  C40  1  0.72913680  0.88966852  0.64856413  1
  C  C41  1  0.10320968  0.27141431  0.83489377  1
  C  C42  1  0.29578811  0.08342975  0.22559543  1
  C  C43  1  0.91771626  0.70348243  0.29154611  1
  C  C44  1  0.70420969  0.91656982  0.77440586  1
  C  C45  1  0.08228263  0.29651918  0.70845314  1
  C  C46  1  0.40733070  0.09124523  0.16600304  1
  C  C47  1  0.90867646  0.59168558  0.34808178  1
  C  C48  1  0.59267030  0.90875029  0.83399720  1
  C  C49  1  0.09131948  0.40831764  0.65191801  1
  N  N50  1  0.15457500  0.09490756  0.37979170  1
  N  N51  1  0.91694331  0.84116119  0.13557184  1
  N  N52  1  0.84542093  0.90509657  0.62020908  1
  N  N53  1  0.08306430  0.15883674  0.86442739  1
  N  N54  1  0.11102904  0.05628188  0.27557800  1
  N  N55  1  0.94732010  0.88874564  0.23735047  1
  N  N56  1  0.88896698  0.94372242  0.72442189  1
  N  N57  1  0.05268317  0.11125387  0.76264966  1
  N  N58  1  0.19774627  0.04877543  0.18337307  1
  N  N59  1  0.94796737  0.80551389  0.33512777  1
  N  N60  1  0.80224970  0.95122745  0.81662759  1
  N  N61  1  0.05203101  0.19448781  0.66487311  1
  O  O62  1  0.92923063  0.12129140  0.06627272  1
  O  O63  1  0.88421025  0.07205381  0.44216132  1
  O  O64  1  0.07077093  0.87870893  0.93372603  1
  O  O65  1  0.11578677  0.92794989  0.55783740  1
  O  O66  1  0.70298082  0.14412002  0.24731428  1
  O  O67  1  0.85185074  0.29990661  0.25879582  1
  O  O68  1  0.29701900  0.85587822  0.75268746  1
  O  O69  1  0.14814726  0.70009586  0.74120159  1
  O  O70  1  0.64771597  0.08469334  0.06536469  1
  O  O71  1  0.91131222  0.34898382  0.44286747  1
  O  O72  1  0.35228785  0.91529685  0.93463876  1
  O  O73  1  0.08868281  0.65102083  0.55713049  1
