# generated using pymatgen
data_CrCoNiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.85096147
_cell_length_b   10.84414720
_cell_length_c   10.86105154
_cell_angle_alpha   89.20074586
_cell_angle_beta   89.00788479
_cell_angle_gamma   63.84453745
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCoNiH8C14(NO)6
_chemical_formula_sum   'Cr2 Co2 Ni2 H16 C28 N12 O12'
_cell_volume   1146.94634201
_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  0.90214417  0.09801159  0.25063535  1
  Cr  Cr1  1  0.09785475  0.90199097  0.74936326  1
  Co  Co2  1  0.86026218  0.97956955  -0.00736893  1
  Ni  Ni3  1  0.01957996  0.14204806  0.50715127  1
  Co  Co4  1  0.13973842  0.02042973  1.00736912  1
  Ni  Ni5  1  0.98041685  0.85795646  0.49284903  1
  H  H6  1  0.53573811  0.16777803  0.41546480  1
  H  H7  1  0.83078470  0.46411922  0.08729001  1
  H  H8  1  0.46426582  0.83221166  0.58453797  1
  H  H9  1  0.16921998  0.53588071  0.91270683  1
  H  H10  1  0.33123350  0.15633498  0.51247380  1
  H  H11  1  0.84221517  0.66829483  0.98988317  1
  H  H12  1  0.66876442  0.84366319  0.48752728  1
  H  H13  1  0.15779263  0.33170455  0.01011473  1
  H  H14  1  0.42327319  0.07466584  0.05901803  1
  H  H15  1  0.92844238  0.57565671  0.44231389  1
  H  H16  1  0.57672774  0.92532950  0.94098350  1
  H  H17  1  0.07154913  0.42434826  0.55768661  1
  H  H18  1  0.87491098  0.20786948  0.03980548  1
  H  H19  1  0.79569533  0.12518225  0.46208712  1
  H  H20  1  0.12508826  0.79213177  0.96019034  1
  H  H21  1  0.20430022  0.87482288  0.53790892  1
  C  C22  1  0.62517083  0.11653254  0.17452942  1
  C  C23  1  0.88475467  0.37375813  0.32663084  1
  C  C24  1  0.37483076  0.88346143  0.82547275  1
  C  C25  1  0.11524176  0.62624491  0.67336801  1
  C  C26  1  0.49718589  0.11696154  0.23105337  1
  C  C27  1  0.88396017  0.50220876  0.27082025  1
  C  C28  1  0.50281611  0.88303164  0.76894865  1
  C  C29  1  0.11603708  0.49779399  0.72917870  1
  C  C30  1  0.46774414  0.14277877  0.35893520  1
  C  C31  1  0.85663605  0.53192562  0.14338240  1
  C  C32  1  0.53225835  0.85721375  0.64106685  1
  C  C33  1  0.14336611  0.46807531  0.85661557  1
  C  C34  1  0.35335373  0.13750450  0.41445545  1
  C  C35  1  0.86182721  0.64613924  0.08766489  1
  C  C36  1  0.64664656  0.86249213  0.58554604  1
  C  C37  1  0.13817853  0.35386027  0.91233337  1
  C  C38  1  0.26617753  0.10619549  0.34086554  1
  C  C39  1  0.89371311  0.73294627  0.16101529  1
  C  C40  1  0.73382121  0.89380438  0.65913537  1
  C  C41  1  0.10629289  0.26705257  0.83898381  1
  C  C42  1  0.29252513  0.08389651  0.21400548  1
  C  C43  1  0.91757145  0.70702824  0.28754378  1
  C  C44  1  0.70747431  0.91610197  0.78599559  1
  C  C45  1  0.08242769  0.29297369  0.71245644  1
  C  C46  1  0.40695291  0.09035761  0.15767099  1
  C  C47  1  0.91169637  0.59230968  0.34388265  1
  C  C48  1  0.59304824  0.90963733  0.84233049  1
  C  C49  1  0.08829874  0.40769388  0.65611733  1
  N  N50  1  0.15279129  0.08480039  0.36808593  1
  N  N51  1  0.91411174  0.84681277  0.13312789  1
  N  N52  1  0.84720514  0.91520352  0.63191406  1
  N  N53  1  0.08589927  0.15318349  0.86687118  1
  N  N54  1  0.11062093  0.05094075  0.26395004  1
  N  N55  1  0.94942010  0.88932808  0.23615552  1
  N  N56  1  0.88937497  0.94906397  0.73604968  1
  N  N57  1  0.05058292  0.11067228  0.76384550  1
  N  N58  1  0.19266985  0.05149134  0.16948052  1
  N  N59  1  0.94919664  0.80810469  0.33124939  1
  N  N60  1  0.80732826  0.94850980  0.83051986  1
  N  N61  1  0.05080169  0.19189776  0.66875153  1
  O  O62  1  0.92420282  0.11335343  0.06917311  1
  O  O63  1  0.88988863  0.07471542  0.43178721  1
  O  O64  1  0.07579695  0.88664871  0.93082528  1
  O  O65  1  0.11010790  0.92528944  0.56821140  1
  O  O66  1  0.70030317  0.14613846  0.24774163  1
  O  O67  1  0.85177070  0.30046457  0.25398700  1
  O  O68  1  0.29969715  0.85385916  0.75225886  1
  O  O69  1  0.14822686  0.69953838  0.74601095  1
  O  O70  1  0.65110261  0.08637965  0.06176829  1
  O  O71  1  0.91844796  0.34524719  0.43819694  1
  O  O72  1  0.34889971  0.91361221  0.93823432  1
  O  O73  1  0.08154777  0.65475699  0.56180219  1
