# generated using pymatgen
data_MnCrNiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.94646739
_cell_length_b   10.93152816
_cell_length_c   10.91645211
_cell_angle_alpha   88.90197874
_cell_angle_beta   88.82272727
_cell_angle_gamma   63.39139886
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCrNiH8C14(NO)6
_chemical_formula_sum   'Mn2 Cr2 Ni2 H16 C28 N12 O12'
_cell_volume   1167.60922319
_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
  Mn  Mn0  1  0.89513659  0.09903705  0.23850635  1
  Mn  Mn1  1  0.10486103  0.90096563  0.76149025  1
  Ni  Ni2  1  0.86077571  0.97688019  -0.00585779  1
  Cr  Cr3  1  0.00889570  0.14141153  0.50770446  1
  Ni  Ni4  1  0.13922766  0.02311845  1.00585753  1
  Cr  Cr5  1  0.99109189  0.85858997  0.49229330  1
  H  H6  1  0.53442934  0.17150902  0.40424601  1
  H  H7  1  0.83004292  0.45473307  0.09443063  1
  H  H8  1  0.46557428  0.82848211  0.59575750  1
  H  H9  1  0.16996100  0.54526630  0.90556771  1
  H  H10  1  0.33321297  0.15704013  0.50531342  1
  H  H11  1  0.83827079  0.65767126  0.99138517  1
  H  H12  1  0.66678712  0.84295658  0.49468924  1
  H  H13  1  0.16173684  0.34232602  0.00861217  1
  H  H14  1  0.42168815  0.07728146  0.05197025  1
  H  H15  1  0.92277599  0.57447934  0.44450271  1
  H  H16  1  0.57831446  0.92271227  0.94803256  1
  H  H17  1  0.07721626  0.42552707  0.55549735  1
  H  H18  1  0.87304788  0.20664810  0.01290639  1
  H  H19  1  0.79250501  0.10101024  0.46293812  1
  H  H20  1  0.12695423  0.79335225  0.98708981  1
  H  H21  1  0.20748783  0.89899318  0.53705818  1
  C  C22  1  0.62215510  0.11635201  0.16882532  1
  C  C23  1  0.88186481  0.37195933  0.33122232  1
  C  C24  1  0.37784474  0.88364514  0.83117625  1
  C  C25  1  0.11813177  0.62804475  0.66877699  1
  C  C26  1  0.49389472  0.11914483  0.22331420  1
  C  C27  1  0.88015322  0.49848412  0.27510800  1
  C  C28  1  0.50610664  0.88085078  0.77668815  1
  C  C29  1  0.11984522  0.50151893  0.72489113  1
  C  C30  1  0.46613801  0.14625116  0.35024679  1
  C  C31  1  0.85321162  0.52510100  0.14765313  1
  C  C32  1  0.53386363  0.85374323  0.64975595  1
  C  C33  1  0.14679079  0.47489944  0.85234514  1
  C  C34  1  0.35509252  0.13858543  0.40777579  1
  C  C35  1  0.85763289  0.63713666  0.08884735  1
  C  C36  1  0.64490815  0.86141157  0.59222641  1
  C  C37  1  0.14237181  0.36286251  0.91115140  1
  C  C38  1  0.27211824  0.10396936  0.33494263  1
  C  C39  1  0.89010717  0.72357026  0.15953164  1
  C  C40  1  0.72787996  0.89603195  0.66505943  1
  C  C41  1  0.10989677  0.27642963  0.84046736  1
  C  C42  1  0.29566181  0.08192415  0.20843711  1
  C  C43  1  0.91383011  0.69876042  0.28576306  1
  C  C44  1  0.70433788  0.91807445  0.79156539  1
  C  C45  1  0.08617401  0.30123981  0.71423581  1
  C  C46  1  0.40556827  0.09216692  0.15022525  1
  C  C47  1  0.90670517  0.58873538  0.34626313  1
  C  C48  1  0.59443336  0.90782860  0.84977701  1
  C  C49  1  0.09329228  0.41126823  0.65373586  1
  N  N50  1  0.16554152  0.07428763  0.36489466  1
  N  N51  1  0.91639407  0.83296666  0.12968743  1
  N  N52  1  0.83445221  0.92571824  0.63510620  1
  N  N53  1  0.08361074  0.16703289  0.87031155  1
  N  N54  1  0.12717181  0.03365755  0.26487418  1
  N  N55  1  0.96433392  0.86554425  0.22858897  1
  N  N56  1  0.87282386  0.96634689  0.73512755  1
  N  N57  1  0.03567195  0.13445549  0.77140841  1
  N  N58  1  0.19931052  0.04287866  0.16801521  1
  N  N59  1  0.95370727  0.79344571  0.32492300  1
  N  N60  1  0.80068795  0.95712236  0.83198652  1
  N  N61  1  0.04630576  0.20654882  0.67507407  1
  O  O62  1  0.92388522  0.11686869  0.05078688  1
  O  O63  1  0.88669738  0.05888856  0.43285909  1
  O  O64  1  0.07611642  0.88313203  0.94921184  1
  O  O65  1  0.11329574  0.94111118  0.56713653  1
  O  O66  1  0.68742068  0.15621923  0.23993715  1
  O  O67  1  0.84071327  0.30549566  0.26429584  1
  O  O68  1  0.31257666  0.84378245  0.76006501  1
  O  O69  1  0.15928436  0.69450711  0.73570248  1
  O  O70  1  0.65822930  0.07194486  0.06036598  1
  O  O71  1  0.92639623  0.33672858  0.44125064  1
  O  O72  1  0.34177265  0.92805095  0.93963715  1
  O  O73  1  0.07359669  0.66327707  0.55874878  1
