# generated using pymatgen
data_CrFeCoH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.85942699
_cell_length_b   10.85762372
_cell_length_c   10.87266315
_cell_angle_alpha   89.20618519
_cell_angle_beta   88.98548696
_cell_angle_gamma   63.80302494
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFeCoH8C14(NO)6
_chemical_formula_sum   'Cr2 Fe2 Co2 H16 C28 N12 O12'
_cell_volume   1150.08121265
_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  0.90395722  0.09802585  0.25132577  1
  Cr  Cr1  1  0.09604160  0.90197580  0.74867274  1
  Fe  Fe2  1  0.85530981  0.99156297  -0.00758058  1
  Co  Co3  1  0.01711163  0.14249298  0.50755843  1
  Fe  Fe4  1  0.14469211  0.00843426  1.00758053  1
  Co  Co5  1  0.98288382  0.85751257  0.49244224  1
  H  H6  1  0.53802363  0.16871189  0.41511952  1
  H  H7  1  0.83052676  0.46324880  0.08747665  1
  H  H8  1  0.46197878  0.83127788  0.58488528  1
  H  H9  1  0.16947781  0.53675239  0.91252015  1
  H  H10  1  0.33399982  0.15669776  0.51394169  1
  H  H11  1  0.84263018  0.66776214  0.98998337  1
  H  H12  1  0.66599909  0.84330028  0.48605888  1
  H  H13  1  0.15737766  0.33223764  0.01001403  1
  H  H14  1  0.42431652  0.07490679  0.06009878  1
  H  H15  1  0.92769655  0.57462559  0.44227232  1
  H  H16  1  0.57568502  0.92508855  0.93990298  1
  H  H17  1  0.07229473  0.42538065  0.55772793  1
  H  H18  1  0.88056312  0.21327861  0.04455438  1
  H  H19  1  0.79201785  0.12514181  0.46062899  1
  H  H20  1  0.11943683  0.78672143  0.95544354  1
  H  H21  1  0.20797906  0.87486263  0.53936839  1
  C  C22  1  0.62531159  0.11686695  0.17582295  1
  C  C23  1  0.88344520  0.37520173  0.32645170  1
  C  C24  1  0.37469061  0.88312567  0.82417868  1
  C  C25  1  0.11655125  0.62480161  0.67354664  1
  C  C26  1  0.49764828  0.11833218  0.23200977  1
  C  C27  1  0.88277679  0.50261473  0.27045647  1
  C  C28  1  0.50235375  0.88166074  0.76799257  1
  C  C29  1  0.11722125  0.49738824  0.72954240  1
  C  C30  1  0.46887197  0.14428431  0.35989143  1
  C  C31  1  0.85605323  0.53159409  0.14298508  1
  C  C32  1  0.53112953  0.85570865  0.64011092  1
  C  C33  1  0.14394924  0.46840720  0.85701262  1
  C  C34  1  0.35533628  0.13821433  0.41595365  1
  C  C35  1  0.86219254  0.64519401  0.08752394  1
  C  C36  1  0.64466329  0.86178239  0.58404784  1
  C  C37  1  0.13781323  0.35480612  0.91247443  1
  C  C38  1  0.26822257  0.10686761  0.34256740  1
  C  C39  1  0.89503730  0.73103290  0.16134473  1
  C  C40  1  0.73177535  0.89313195  0.65743314  1
  C  C41  1  0.10496890  0.26896635  0.83865445  1
  C  C42  1  0.29390315  0.08496137  0.21569934  1
  C  C43  1  0.91848953  0.70520719  0.28779245  1
  C  C44  1  0.70609567  0.91503783  0.78430170  1
  C  C45  1  0.08151012  0.29479538  0.71220760  1
  C  C46  1  0.40758504  0.09138184  0.15859619  1
  C  C47  1  0.91118436  0.59167868  0.34387508  1
  C  C48  1  0.59241598  0.90861317  0.84140563  1
  C  C49  1  0.08881087  0.40832576  0.65612483  1
  N  N50  1  0.15424202  0.08598103  0.36997726  1
  N  N51  1  0.91561358  0.84429166  0.13326628  1
  N  N52  1  0.84575341  0.91402321  0.63002227  1
  N  N53  1  0.08439767  0.15570392  0.86673289  1
  N  N54  1  0.11045617  0.05392469  0.26629071  1
  N  N55  1  0.94911383  0.88851039  0.23671625  1
  N  N56  1  0.88953874  0.94608011  0.73370900  1
  N  N57  1  0.05088973  0.11149064  0.76328405  1
  N  N58  1  0.19320219  0.05402443  0.17143103  1
  N  N59  1  0.95035620  0.80648907  0.33121212  1
  N  N60  1  0.80679462  0.94597868  0.82856841  1
  N  N61  1  0.04964134  0.19351493  0.66878881  1
  O  O62  1  0.92892042  0.11662705  0.06814994  1
  O  O63  1  0.88655381  0.07527177  0.43112974  1
  O  O64  1  0.07108011  0.88337261  0.93184766  1
  O  O65  1  0.11344431  0.92473223  0.56886902  1
  O  O66  1  0.70038034  0.14787433  0.24739739  1
  O  O67  1  0.85281581  0.30024796  0.25374000  1
  O  O68  1  0.29962003  0.85212291  0.75260258  1
  O  O69  1  0.14718152  0.69975489  0.74625777  1
  O  O70  1  0.65254310  0.08361354  0.06369675  1
  O  O71  1  0.91460660  0.34922536  0.43857177  1
  O  O72  1  0.34746000  0.91637584  0.93630645  1
  O  O73  1  0.08538849  0.65077930  0.56142664  1
