# generated using pymatgen
data_CrNi2H8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.86857931
_cell_length_b   10.86031946
_cell_length_c   10.85426837
_cell_angle_alpha   89.16711144
_cell_angle_beta   89.00224348
_cell_angle_gamma   63.74574885
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNi2H8C14(NO)6
_chemical_formula_sum   'Cr2 Ni4 H16 C28 N12 O12'
_cell_volume   1148.82109891
_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  0.90071331  0.09646335  0.24415040  1
  Ni  Ni1  1  0.09928640  0.90353849  0.75584747  1
  Ni  Ni2  1  0.85813422  0.98323607  -0.00618957  1
  Cr  Cr3  1  0.01096680  0.14289818  0.50422481  1
  Ni  Ni4  1  0.14186542  0.01676187  1.00618835  1
  Cr  Cr5  1  0.98902297  0.85710931  0.49577867  1
  H  H6  1  0.53710012  0.16807036  0.41329226  1
  H  H7  1  0.83101868  0.46115350  0.08773414  1
  H  H8  1  0.46290167  0.83191996  0.58671486  1
  H  H9  1  0.16898645  0.53884819  0.91226252  1
  H  H10  1  0.33285943  0.15538718  0.51141415  1
  H  H11  1  0.84215017  0.66540641  0.98982917  1
  H  H12  1  0.66713422  0.84461113  0.48858776  1
  H  H13  1  0.15785742  0.33459451  0.01016958  1
  H  H14  1  0.42574233  0.07434457  0.05672943  1
  H  H15  1  0.92888982  0.57411084  0.44347485  1
  H  H16  1  0.57425308  0.92565304  0.94326918  1
  H  H17  1  0.07110260  0.42589525  0.55652520  1
  H  H18  1  0.87633269  0.20713901  0.04035051  1
  H  H19  1  0.79384282  0.10990653  0.45340212  1
  H  H20  1  0.12366729  0.79286048  0.95964775  1
  H  H21  1  0.20615185  0.89009637  0.54659605  1
  C  C22  1  0.62686265  0.11674103  0.17539469  1
  C  C23  1  0.88536030  0.37081899  0.32631611  1
  C  C24  1  0.37314093  0.88324889  0.82460884  1
  C  C25  1  0.11463535  0.62918554  0.67368228  1
  C  C26  1  0.49810382  0.11694741  0.22960788  1
  C  C27  1  0.88464618  0.49894093  0.27172311  1
  C  C28  1  0.50190016  0.88304521  0.77039535  1
  C  C29  1  0.11535146  0.50106309  0.72827586  1
  C  C30  1  0.46891841  0.14301446  0.35734776  1
  C  C31  1  0.85683814  0.52879056  0.14395375  1
  C  C32  1  0.53108335  0.85697786  0.64265731  1
  C  C33  1  0.14316427  0.47121210  0.85604427  1
  C  C34  1  0.35499916  0.13752745  0.41326855  1
  C  C35  1  0.86150770  0.64283573  0.08759810  1
  C  C36  1  0.64499998  0.86246928  0.58673426  1
  C  C37  1  0.13849808  0.35716559  0.91240096  1
  C  C38  1  0.26883374  0.10715423  0.33842070  1
  C  C39  1  0.89248864  0.72998645  0.16083118  1
  C  C40  1  0.73116683  0.89284413  0.66157841  1
  C  C41  1  0.10751719  0.27001434  0.83916937  1
  C  C42  1  0.29467286  0.08413742  0.21169294  1
  C  C43  1  0.91429446  0.70399129  0.28750439  1
  C  C44  1  0.70533029  0.91585998  0.78830598  1
  C  C45  1  0.08570531  0.29601205  0.71249664  1
  C  C46  1  0.40881337  0.09010619  0.15536363  1
  C  C47  1  0.91135162  0.58955958  0.34504654  1
  C  C48  1  0.59119095  0.90988838  0.84463681  1
  C  C49  1  0.08864372  0.41044523  0.65495368  1
  N  N50  1  0.15477583  0.08691560  0.36446053  1
  N  N51  1  0.91228651  0.84462763  0.13379588  1
  N  N52  1  0.84522212  0.91308766  0.63553512  1
  N  N53  1  0.08772232  0.15537061  0.86620395  1
  N  N54  1  0.11449155  0.04975799  0.26143281  1
  N  N55  1  0.94910208  0.88436795  0.23599987  1
  N  N56  1  0.88550769  0.95024616  0.73856320  1
  N  N57  1  0.05090224  0.11563322  0.76400131  1
  N  N58  1  0.19298317  0.05330202  0.16721777  1
  N  N59  1  0.94161001  0.80716064  0.33135876  1
  N  N60  1  0.80701981  0.94669917  0.83277874  1
  N  N61  1  0.05839219  0.19284123  0.66864276  1
  O  O62  1  0.92809787  0.11101984  0.06381047  1
  O  O63  1  0.89192496  0.06070471  0.43420131  1
  O  O64  1  0.07190153  0.88897955  0.93618750  1
  O  O65  1  0.10806909  0.93929585  0.56579525  1
  O  O66  1  0.69732517  0.14936421  0.24925750  1
  O  O67  1  0.84896684  0.30085913  0.25691931  1
  O  O68  1  0.30267492  0.85063343  0.75074297  1
  O  O69  1  0.15102889  0.69914613  0.74307784  1
  O  O70  1  0.65676399  0.08276617  0.06294662  1
  O  O71  1  0.92328452  0.33858809  0.43962386  1
  O  O72  1  0.34323989  0.91721965  0.93705707  1
  O  O73  1  0.07670863  0.66141814  0.56037499  1
