# generated using pymatgen
data_CrCo2H8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.86364315
_cell_length_b   10.85827735
_cell_length_c   10.85075205
_cell_angle_alpha   89.25735707
_cell_angle_beta   89.05237129
_cell_angle_gamma   63.79274317
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCo2H8C14(NO)6
_chemical_formula_sum   'Cr2 Co4 H16 C28 N12 O12'
_cell_volume   1148.20298000
_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  0.90224045  0.09812835  0.25007277  1
  Cr  Cr1  1  0.09775782  0.90187493  0.74992513  1
  Co  Co2  1  0.85498922  0.98562513  -0.00582180  1
  Co  Co3  1  0.01402163  0.14533336  0.50585061  1
  Co  Co4  1  0.14501453  0.01437275  1.00582110  1
  Co  Co5  1  0.98597322  0.85467142  0.49414896  1
  H  H6  1  0.53667308  0.16758236  0.41450061  1
  H  H7  1  0.83114736  0.46392360  0.08661664  1
  H  H8  1  0.46332878  0.83240708  0.58550430  1
  H  H9  1  0.16885797  0.53607822  0.91338023  1
  H  H10  1  0.33270626  0.15470215  0.51222710  1
  H  H11  1  0.84319456  0.66813700  0.98868655  1
  H  H12  1  0.66728865  0.84529671  0.48777333  1
  H  H13  1  0.15681205  0.33186528  0.01131202  1
  H  H14  1  0.42529186  0.07343929  0.05806435  1
  H  H15  1  0.93020207  0.57453199  0.44146973  1
  H  H16  1  0.57471084  0.92655828  0.94193720  1
  H  H17  1  0.06979010  0.42547354  0.55853127  1
  H  H18  1  0.87780641  0.20866493  0.04327368  1
  H  H19  1  0.79154946  0.12221818  0.45701587  1
  H  H20  1  0.12219383  0.79133688  0.95672441  1
  H  H21  1  0.20844754  0.87778576  0.54298173  1
  C  C22  1  0.62449149  0.11659283  0.17475015  1
  C  C23  1  0.88412553  0.37590916  0.32566376  1
  C  C24  1  0.37551122  0.88339701  0.82525315  1
  C  C25  1  0.11587082  0.62409438  0.67433413  1
  C  C26  1  0.49687419  0.11753203  0.23069084  1
  C  C27  1  0.88344998  0.50325711  0.26968267  1
  C  C28  1  0.50312826  0.88245890  0.76931244  1
  C  C29  1  0.11654923  0.49674570  0.73031597  1
  C  C30  1  0.46767400  0.14340680  0.35857067  1
  C  C31  1  0.85619996  0.53266893  0.14217674  1
  C  C32  1  0.53232733  0.85658551  0.64143204  1
  C  C33  1  0.14380355  0.46733313  0.85782149  1
  C  C34  1  0.35389592  0.13719493  0.41386676  1
  C  C35  1  0.86191776  0.64651023  0.08671824  1
  C  C36  1  0.64610271  0.86280187  0.58613429  1
  C  C37  1  0.13808753  0.35349150  0.91328041  1
  C  C38  1  0.26722536  0.10646207  0.33937388  1
  C  C39  1  0.89364914  0.73299065  0.16066718  1
  C  C40  1  0.73277319  0.89353638  0.66062592  1
  C  C41  1  0.10635561  0.26700995  0.83933330  1
  C  C42  1  0.29363529  0.08347789  0.21243171  1
  C  C43  1  0.91828264  0.70620280  0.28721198  1
  C  C44  1  0.70636418  0.91651893  0.78756844  1
  C  C45  1  0.08171563  0.29380072  0.71278958  1
  C  C46  1  0.40773341  0.09017508  0.15663744  1
  C  C47  1  0.91214726  0.59204995  0.34320790  1
  C  C48  1  0.59226741  0.90981952  0.84336444  1
  C  C49  1  0.08784897  0.40795363  0.65679244  1
  N  N50  1  0.15129923  0.08950743  0.36564608  1
  N  N51  1  0.91008172  0.84913519  0.13439415  1
  N  N52  1  0.84869599  0.91049710  0.63435174  1
  N  N53  1  0.08992970  0.15086182  0.86560504  1
  N  N54  1  0.10751276  0.05789294  0.26133041  1
  N  N55  1  0.94319279  0.89253141  0.23820203  1
  N  N56  1  0.89248227  0.94211273  0.73866756  1
  N  N57  1  0.05681214  0.10746998  0.76179808  1
  N  N58  1  0.19149068  0.05497952  0.16713502  1
  N  N59  1  0.94733964  0.80816384  0.33223608  1
  N  N60  1  0.80850622  0.94502244  0.83286313  1
  N  N61  1  0.05265768  0.19184084  0.66776452  1
  O  O62  1  0.92675925  0.11276358  0.06864874  1
  O  O63  1  0.88749079  0.07331569  0.43136302  1
  O  O64  1  0.07324108  0.88723796  0.93134901  1
  O  O65  1  0.11250664  0.92668850  0.56863578  1
  O  O66  1  0.69993455  0.14603901  0.24777968  1
  O  O67  1  0.85382509  0.30063020  0.25294993  1
  O  O68  1  0.30006578  0.85395792  0.75222031  1
  O  O69  1  0.14617166  0.69937444  0.74704650  1
  O  O70  1  0.64977193  0.08656253  0.06183433  1
  O  O71  1  0.91462843  0.35068981  0.43828154  1
  O  O72  1  0.35023400  0.91341875  0.93817084  1
  O  O73  1  0.08536521  0.64931437  0.56171716  1
