# generated using pymatgen
data_MnCrNiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.83429384
_cell_length_b   10.83515398
_cell_length_c   10.97773775
_cell_angle_alpha   88.97568016
_cell_angle_beta   88.76086138
_cell_angle_gamma   63.87893969
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCrNiH8C14(NO)6
_chemical_formula_sum   'Mn2 Cr2 Ni2 H16 C28 N12 O12'
_cell_volume   1156.75022099
_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  0.90523072  0.09149168  0.24485335  1
  Cr  Cr1  1  0.09476790  0.90850987  0.75514621  1
  Ni  Ni2  1  0.85619715  0.98194688  -0.00898028  1
  Mn  Mn3  1  0.00319757  0.15096919  0.50839363  1
  Ni  Ni4  1  0.14380485  0.01805266  1.00898012  1
  Mn  Mn5  1  0.99679972  0.84903342  0.49160685  1
  H  H6  1  0.53836632  0.17078466  0.40427011  1
  H  H7  1  0.82605167  0.46221883  0.08130400  1
  H  H8  1  0.46163829  0.82920747  0.59573072  1
  H  H9  1  0.17395315  0.53777956  0.91869394  1
  H  H10  1  0.33707262  0.15317687  0.50437762  1
  H  H11  1  0.83607630  0.66723488  0.98271345  1
  H  H12  1  0.66292937  0.84682044  0.49562263  1
  H  H13  1  0.16393243  0.33276143  0.01728377  1
  H  H14  1  0.42297354  0.07829304  0.05373235  1
  H  H15  1  0.93121023  0.57187471  0.42911090  1
  H  H16  1  0.57702783  0.92170263  0.94626849  1
  H  H17  1  0.06878175  0.42813012  0.57088993  1
  H  H18  1  0.87466246  0.20451290  0.03915552  1
  H  H19  1  0.78443437  0.10856342  0.44475816  1
  H  H20  1  0.12533701  0.79548868  0.96084346  1
  H  H21  1  0.21556347  0.89144016  0.55524038  1
  C  C22  1  0.62781538  0.11441826  0.16859273  1
  C  C23  1  0.88532416  0.37297549  0.31865874  1
  C  C24  1  0.37218523  0.88557925  0.83140735  1
  C  C25  1  0.11467295  0.62702615  0.68134029  1
  C  C26  1  0.49871126  0.11733382  0.22394679  1
  C  C27  1  0.88247848  0.50040353  0.26083916  1
  C  C28  1  0.50129076  0.88266214  0.77605324  1
  C  C29  1  0.11752019  0.49959779  0.73916023  1
  C  C30  1  0.47046199  0.14364355  0.35054845  1
  C  C31  1  0.85256080  0.53068817  0.13511773  1
  C  C32  1  0.52954076  0.85635144  0.64945217  1
  C  C33  1  0.14744217  0.46931089  0.86488059  1
  C  C34  1  0.35855079  0.13475327  0.40734601  1
  C  C35  1  0.85758081  0.64490039  0.07916353  1
  C  C36  1  0.64145025  0.86524432  0.59265582  1
  C  C37  1  0.14242439  0.35509784  0.92083473  1
  C  C38  1  0.27308703  0.10037323  0.33540952  1
  C  C39  1  0.89394348  0.73019410  0.14994138  1
  C  C40  1  0.72691292  0.89962688  0.66459108  1
  C  C41  1  0.10605882  0.26980529  0.85005740  1
  C  C42  1  0.29549807  0.08165127  0.20903947  1
  C  C43  1  0.92248135  0.70082787  0.27427991  1
  C  C44  1  0.70450221  0.91834722  0.79096173  1
  C  C45  1  0.07751573  0.29917421  0.72572028  1
  C  C46  1  0.40764074  0.09152190  0.15167586  1
  C  C47  1  0.91337005  0.58893807  0.33195645  1
  C  C48  1  0.59236035  0.90847446  0.84832489  1
  C  C49  1  0.08662544  0.41106516  0.66804337  1
  N  N50  1  0.16208150  0.07690487  0.36570904  1
  N  N51  1  0.91508005  0.84442523  0.12319041  1
  N  N52  1  0.83791643  0.92309808  0.63429212  1
  N  N53  1  0.08492341  0.15557368  0.87680849  1
  N  N54  1  0.11324152  0.05019654  0.26337197  1
  N  N55  1  0.95458701  0.88298413  0.22526762  1
  N  N56  1  0.88675617  0.94980540  0.73662968  1
  N  N57  1  0.04541360  0.11701620  0.77473255  1
  N  N58  1  0.19280967  0.05094761  0.16756592  1
  N  N59  1  0.96214279  0.79586941  0.31654764  1
  N  N60  1  0.80718924  0.94905221  0.83243494  1
  N  N61  1  0.03785165  0.20413455  0.68345332  1
  O  O62  1  0.92541180  0.10955904  0.06702651  1
  O  O63  1  0.88271806  0.06773093  0.42544586  1
  O  O64  1  0.07458864  0.89044259  0.93297276  1
  O  O65  1  0.11727918  0.93227224  0.57455326  1
  O  O66  1  0.70308276  0.14325382  0.24140935  1
  O  O67  1  0.85524756  0.29535234  0.25036979  1
  O  O68  1  0.29691596  0.85674680  0.75858874  1
  O  O69  1  0.14475081  0.70464958  0.74962982  1
  O  O70  1  0.65528755  0.08274225  0.05749505  1
  O  O71  1  0.91932693  0.34887712  0.42987691  1
  O  O72  1  0.34471394  0.91725321  0.94250458  1
  O  O73  1  0.08066895  0.65112551  0.57012386  1
