# generated using pymatgen
data_CrFeCoH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.87179731
_cell_length_b   10.86211374
_cell_length_c   10.86664802
_cell_angle_alpha   89.18253716
_cell_angle_beta   89.01195772
_cell_angle_gamma   63.74059626
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFeCoH8C14(NO)6
_chemical_formula_sum   'Cr2 Fe2 Co2 H16 C28 N12 O12'
_cell_volume   1150.61619494
_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
  Co  Co0  1  0.91678183  0.08092359  0.24716606  1
  Co  Co1  1  0.08321733  0.91907857  0.75283320  1
  Fe  Fe2  1  0.85510091  0.99462834  -0.00346249  1
  Cr  Cr3  1  0.01086885  0.14315648  0.50204774  1
  Fe  Fe4  1  0.14490033  0.00536956  1.00346232  1
  Cr  Cr5  1  0.98912663  0.85684808  0.49795186  1
  H  H6  1  0.53675460  0.16881741  0.41493826  1
  H  H7  1  0.83077576  0.46144898  0.08922235  1
  H  H8  1  0.46324783  0.83117237  0.58506599  1
  H  H9  1  0.16922895  0.53855229  0.91077432  1
  H  H10  1  0.33313831  0.15628852  0.51404813  1
  H  H11  1  0.84283556  0.66536017  0.99198535  1
  H  H12  1  0.66685829  0.84370987  0.48595336  1
  H  H13  1  0.15717226  0.33464018  0.00801312  1
  H  H14  1  0.42399464  0.07443006  0.06004081  1
  H  H15  1  0.92772700  0.57313161  0.44487349  1
  H  H16  1  0.57600658  0.92556546  0.93996091  1
  H  H17  1  0.07226493  0.42687447  0.55512720  1
  H  H18  1  0.87748313  0.21902763  0.04549168  1
  H  H19  1  0.79168115  0.11198909  0.45252591  1
  H  H20  1  0.12251779  0.78097177  0.95450537  1
  H  H21  1  0.20831545  0.88801481  0.54747076  1
  C  C22  1  0.62532745  0.11695130  0.17696395  1
  C  C23  1  0.88553545  0.36988295  0.32618335  1
  C  C24  1  0.37467496  0.88303981  0.82303962  1
  C  C25  1  0.11446055  0.63012155  0.67381521  1
  C  C26  1  0.49697107  0.11797830  0.23201933  1
  C  C27  1  0.88444626  0.49864365  0.27286973  1
  C  C28  1  0.50303143  0.88201347  0.76798385  1
  C  C29  1  0.11555135  0.50136050  0.72712911  1
  C  C30  1  0.46815899  0.14404350  0.35942768  1
  C  C31  1  0.85682836  0.52872123  0.14544262  1
  C  C32  1  0.53184290  0.85594908  0.64057580  1
  C  C33  1  0.14317401  0.47128118  0.85455518  1
  C  C34  1  0.35422813  0.13852813  0.41581546  1
  C  C35  1  0.86234425  0.64249142  0.08962069  1
  C  C36  1  0.64577084  0.86146846  0.58418645  1
  C  C37  1  0.13766148  0.35750941  0.91037782  1
  C  C38  1  0.26755807  0.10812134  0.34172824  1
  C  C39  1  0.89424983  0.72852691  0.16365061  1
  C  C40  1  0.73244031  0.89187803  0.65827244  1
  C  C41  1  0.10575586  0.27147306  0.83634850  1
  C  C42  1  0.29399871  0.08456962  0.21543964  1
  C  C43  1  0.91563049  0.70335161  0.29011602  1
  C  C44  1  0.70600095  0.91542864  0.78456126  1
  C  C45  1  0.08436782  0.29665221  0.70988453  1
  C  C46  1  0.40732478  0.09091918  0.15843531  1
  C  C47  1  0.91122576  0.58910028  0.34660510  1
  C  C48  1  0.59267650  0.90907572  0.84156668  1
  C  C49  1  0.08876924  0.41090495  0.65339487  1
  N  N50  1  0.15181034  0.08972935  0.36707601  1
  N  N51  1  0.91159180  0.84407824  0.13651740  1
  N  N52  1  0.84818401  0.91027573  0.63292240  1
  N  N53  1  0.08842111  0.15591721  0.86348091  1
  N  N54  1  0.11131709  0.05246619  0.26313688  1
  N  N55  1  0.94509957  0.88750632  0.23877305  1
  N  N56  1  0.88867692  0.94754104  0.73685917  1
  N  N57  1  0.05490579  0.11249380  0.76122698  1
  N  N58  1  0.19349747  0.05264181  0.17064883  1
  N  N59  1  0.94145205  0.80775116  0.33494505  1
  N  N60  1  0.80649990  0.94736129  0.82934956  1
  N  N61  1  0.05854623  0.19225289  0.66505453  1
  O  O62  1  0.93089868  0.12038427  0.05570064  1
  O  O63  1  0.89087017  0.06076040  0.44066053  1
  O  O64  1  0.06910108  0.87961533  0.94429706  1
  O  O65  1  0.10912670  0.93924362  0.55933807  1
  O  O66  1  0.69963224  0.14599082  0.24898658  1
  O  O67  1  0.85225859  0.29779029  0.25673761  1
  O  O68  1  0.30036925  0.85400338  0.75101519  1
  O  O69  1  0.14773744  0.70221418  0.74326013  1
  O  O70  1  0.65210249  0.08413643  0.06372395  1
  O  O71  1  0.92212421  0.33888505  0.44017041  1
  O  O72  1  0.34790240  0.91585002  0.93628097  1
  O  O73  1  0.07787105  0.66111916  0.55982780  1
