# generated using pymatgen
data_Cr2CoH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.86513326
_cell_length_b   10.85958280
_cell_length_c   10.86053555
_cell_angle_alpha   89.15741750
_cell_angle_beta   88.95535389
_cell_angle_gamma   63.73139673
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2CoH8C14(NO)6
_chemical_formula_sum   'Cr4 Co2 H16 C28 N12 O12'
_cell_volume   1148.88513631
_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  0.92077298  0.07954461  0.25008180  1
  Co  Co1  1  0.07922451  0.92045783  0.74991687  1
  Cr  Cr2  1  0.85680052  0.98772921  -0.00075298  1
  Cr  Cr3  1  0.01262743  0.14331164  0.50054018  1
  Cr  Cr4  1  0.14320134  0.01226839  1.00075344  1
  Cr  Cr5  1  0.98736929  0.85669305  0.49945893  1
  H  H6  1  0.53850602  0.16840645  0.41255028  1
  H  H7  1  0.83037156  0.46190901  0.08852439  1
  H  H8  1  0.46149661  0.83158309  0.58745395  1
  H  H9  1  0.16963340  0.53809197  0.91147269  1
  H  H10  1  0.33507829  0.15579601  0.51076095  1
  H  H11  1  0.84223122  0.66530954  0.99008301  1
  H  H12  1  0.66491834  0.84420211  0.48923992  1
  H  H13  1  0.15777616  0.33469083  0.00991520  1
  H  H14  1  0.42555458  0.07472368  0.05618872  1
  H  H15  1  0.92880804  0.57429523  0.44319966  1
  H  H16  1  0.57444749  0.92527241  0.94381235  1
  H  H17  1  0.07118424  0.42571036  0.55680109  1
  H  H18  1  0.88735000  0.20969173  0.04520237  1
  H  H19  1  0.79067061  0.11252866  0.45526919  1
  H  H20  1  0.11265183  0.79030724  0.95479428  1
  H  H21  1  0.20932666  0.88747539  0.54472807  1
  C  C22  1  0.62979479  0.11469329  0.17527096  1
  C  C23  1  0.88600577  0.37044734  0.32521447  1
  C  C24  1  0.37020717  0.88529938  0.82473198  1
  C  C25  1  0.11399032  0.62955737  0.67478394  1
  C  C26  1  0.50069991  0.11644967  0.22855617  1
  C  C27  1  0.88434471  0.49936154  0.27172902  1
  C  C28  1  0.49930207  0.88354290  0.77144617  1
  C  C29  1  0.11565335  0.50064231  0.72826995  1
  C  C30  1  0.47090436  0.14297513  0.35632275  1
  C  C31  1  0.85652497  0.52937970  0.14435843  1
  C  C32  1  0.52909768  0.85701711  0.64367998  1
  C  C33  1  0.14347770  0.47062204  0.85563965  1
  C  C34  1  0.35686285  0.13756717  0.41263108  1
  C  C35  1  0.86149303  0.64343019  0.08790809  1
  C  C36  1  0.64313701  0.86242911  0.58737028  1
  C  C37  1  0.13851209  0.35657052  0.91209027  1
  C  C38  1  0.27012865  0.10745490  0.33832439  1
  C  C39  1  0.89262079  0.73009270  0.16164253  1
  C  C40  1  0.72986973  0.89254373  0.66167582  1
  C  C41  1  0.10738357  0.26990755  0.83835694  1
  C  C42  1  0.29525642  0.08648152  0.21173733  1
  C  C43  1  0.91552693  0.70441435  0.28782446  1
  C  C44  1  0.70474384  0.91351520  0.78826372  1
  C  C45  1  0.08447225  0.29558857  0.71217555  1
  C  C46  1  0.40983499  0.09063976  0.15472353  1
  C  C47  1  0.91145883  0.59004279  0.34496231  1
  C  C48  1  0.59016642  0.90935466  0.84527799  1
  C  C49  1  0.08853708  0.40996155  0.65503766  1
  N  N50  1  0.15408633  0.08943740  0.36422946  1
  N  N51  1  0.90977121  0.84656015  0.13563170  1
  N  N52  1  0.84590807  0.91056796  0.63576923  1
  N  N53  1  0.09023724  0.15343785  0.86436744  1
  N  N54  1  0.11236650  0.05433887  0.26065727  1
  N  N55  1  0.94675604  0.88768737  0.23854574  1
  N  N56  1  0.88762820  0.94566747  0.73934053  1
  N  N57  1  0.05324760  0.11231309  0.76145391  1
  N  N58  1  0.19161133  0.05991070  0.16594454  1
  N  N59  1  0.94309431  0.80779397  0.33313687  1
  N  N60  1  0.80838613  0.94009135  0.83405452  1
  N  N61  1  0.05690430  0.19220861  0.66686362  1
  O  O62  1  0.93899251  0.11060720  0.05722744  1
  O  O63  1  0.88974137  0.06067856  0.44300169  1
  O  O64  1  0.06100964  0.88939187  0.94277046  1
  O  O65  1  0.11025618  0.93932549  0.55699707  1
  O  O66  1  0.70318464  0.14554424  0.24553278  1
  O  O67  1  0.85420546  0.29728031  0.25536381  1
  O  O68  1  0.29681641  0.85445084  0.75446964  1
  O  O69  1  0.14578969  0.70272489  0.74463487  1
  O  O70  1  0.66073160  0.07918540  0.06080473  1
  O  O71  1  0.92233358  0.33936533  0.43924092  1
  O  O72  1  0.33927182  0.92080470  0.93919902  1
  O  O73  1  0.07766198  0.66063866  0.56075739  1
