# generated using pymatgen
data_MnCrNiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.90608569
_cell_length_b   10.90862989
_cell_length_c   10.93976281
_cell_angle_alpha   88.95594035
_cell_angle_beta   88.66254331
_cell_angle_gamma   63.53004997
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCrNiH8C14(NO)6
_chemical_formula_sum   'Mn2 Cr2 Ni2 H16 C28 N12 O12'
_cell_volume   1164.70727294
_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
  Ni  Ni0  1  0.90928245  0.09314090  0.25460430  1
  Ni  Ni1  1  0.09071712  0.90686173  0.74539475  1
  Cr  Cr2  1  0.85648013  0.99496296  -0.01244748  1
  Mn  Mn3  1  0.00263437  0.14884645  0.50782554  1
  Cr  Cr4  1  0.14352108  0.00503253  1.01244934  1
  Mn  Mn5  1  0.99736245  0.85115747  0.49217505  1
  H  H6  1  0.54844669  0.17016444  0.40237500  1
  H  H7  1  0.82380167  0.46321697  0.08494400  1
  H  H8  1  0.45155734  0.82982652  0.59762675  1
  H  H9  1  0.17620306  0.53678256  0.91505352  1
  H  H10  1  0.34819382  0.15546439  0.50605101  1
  H  H11  1  0.83553760  0.66525536  0.98294336  1
  H  H12  1  0.65180692  0.84453248  0.49395077  1
  H  H13  1  0.16447092  0.33474214  0.01705446  1
  H  H14  1  0.42530465  0.08533839  0.05142219  1
  H  H15  1  0.92968049  0.57466440  0.43209798  1
  H  H16  1  0.57469776  0.91465575  0.94858009  1
  H  H17  1  0.07031141  0.42534110  0.56790058  1
  H  H18  1  0.89824358  0.20451429  0.05494341  1
  H  H19  1  0.78248012  0.10915122  0.45071474  1
  H  H20  1  0.10175487  0.79548355  0.94505193  1
  H  H21  1  0.21751717  0.89085279  0.54928118  1
  C  C22  1  0.63290974  0.11799679  0.16652930  1
  C  C23  1  0.88592573  0.37425940  0.32149084  1
  C  C24  1  0.36709241  0.88199958  0.83347197  1
  C  C25  1  0.11407107  0.62574375  0.67850908  1
  C  C26  1  0.50498549  0.12074426  0.22179931  1
  C  C27  1  0.88146158  0.50216276  0.26388695  1
  C  C28  1  0.49501614  0.87925038  0.77820194  1
  C  C29  1  0.11853701  0.49783936  0.73611181  1
  C  C30  1  0.47900481  0.14552780  0.34937638  1
  C  C31  1  0.85086165  0.53122283  0.13788540  1
  C  C32  1  0.52099718  0.85446626  0.65062574  1
  C  C33  1  0.14914127  0.46877687  0.86211310  1
  C  C34  1  0.36798401  0.13825270  0.40835843  1
  C  C35  1  0.85595174  0.64407417  0.08000848  1
  C  C36  1  0.63201672  0.86174406  0.59164353  1
  C  C37  1  0.14405299  0.35592503  0.91998920  1
  C  C38  1  0.28074872  0.10755121  0.33696785  1
  C  C39  1  0.89167196  0.72851476  0.15051187  1
  C  C40  1  0.71925053  0.89244848  0.66303269  1
  C  C41  1  0.10833042  0.27148575  0.84948796  1
  C  C42  1  0.30081262  0.09175569  0.20961047  1
  C  C43  1  0.92115711  0.70034702  0.27518554  1
  C  C44  1  0.69918738  0.90824293  0.79039067  1
  C  C45  1  0.07884175  0.29965634  0.72481361  1
  C  C46  1  0.41221127  0.09811248  0.14992395  1
  C  C47  1  0.91172945  0.59044201  0.33457556  1
  C  C48  1  0.58779120  0.90188274  0.85007596  1
  C  C49  1  0.08826754  0.40956121  0.66542768  1
  N  N50  1  0.17155779  0.08193954  0.36836848  1
  N  N51  1  0.91680097  0.83924072  0.12238244  1
  N  N52  1  0.82843804  0.91806455  0.63163087  1
  N  N53  1  0.08320273  0.16075997  0.87761558  1
  N  N54  1  0.12576104  0.05131777  0.26781725  1
  N  N55  1  0.96136127  0.87509979  0.22288688  1
  N  N56  1  0.87423670  0.94868488  0.73218189  1
  N  N57  1  0.03863968  0.12490203  0.77711319  1
  N  N58  1  0.19816432  0.06294831  0.16942897  1
  N  N59  1  0.96584235  0.79199290  0.31486068  1
  N  N60  1  0.80183425  0.93705455  0.83057136  1
  N  N61  1  0.03415602  0.20800989  0.68513955  1
  O  O62  1  0.94111480  0.10608786  0.07213892  1
  O  O63  1  0.88090477  0.06620198  0.43431166  1
  O  O64  1  0.05888323  0.89391094  0.92786005  1
  O  O65  1  0.11909338  0.93380103  0.56568797  1
  O  O66  1  0.70600003  0.14834864  0.23569981  1
  O  O67  1  0.85666694  0.29843491  0.25307505  1
  O  O68  1  0.29400129  0.85164904  0.76430077  1
  O  O69  1  0.14332919  0.70156832  0.74692434  1
  O  O70  1  0.66130641  0.08374422  0.05287601  1
  O  O71  1  0.92223456  0.34883832  0.43316796  1
  O  O72  1  0.33869489  0.91625219  0.94712584  1
  O  O73  1  0.07776070  0.65116541  0.56683115  1
