# generated using pymatgen
data_CrCoNiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.87598129
_cell_length_b   10.86291880
_cell_length_c   10.86514892
_cell_angle_alpha   89.08154374
_cell_angle_beta   88.96006050
_cell_angle_gamma   63.71333720
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCoNiH8C14(NO)6
_chemical_formula_sum   'Cr2 Co2 Ni2 H16 C28 N12 O12'
_cell_volume   1150.68258180
_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
  Ni  Ni0  1  0.90153573  0.09560186  0.24384530  1
  Ni  Ni1  1  0.09846454  0.90440087  0.75615276  1
  Co  Co2  1  0.85998520  0.98139872  -0.00559162  1
  Cr  Cr3  1  0.00943103  0.14258928  0.50604952  1
  Co  Co4  1  0.14001514  0.01859847  1.00559253  1
  Cr  Cr5  1  0.99056576  0.85741362  0.49395010  1
  H  H6  1  0.53681215  0.16873402  0.41360508  1
  H  H7  1  0.83085692  0.45748689  0.09062683  1
  H  H8  1  0.46319163  0.83125581  0.58639735  1
  H  H9  1  0.16914699  0.54251407  0.90936921  1
  H  H10  1  0.33245972  0.15651779  0.51145447  1
  H  H11  1  0.84124657  0.66152946  0.99094590  1
  H  H12  1  0.66754065  0.84348029  0.48854801  1
  H  H13  1  0.15876218  0.33847043  0.00905210  1
  H  H14  1  0.42546170  0.07532273  0.05774592  1
  H  H15  1  0.92638347  0.57278105  0.44473364  1
  H  H16  1  0.57453689  0.92467354  0.94225632  1
  H  H17  1  0.07360791  0.42722325  0.55526627  1
  H  H18  1  0.87329057  0.20969646  0.03728447  1
  H  H19  1  0.79425717  0.10499279  0.45310403  1
  H  H20  1  0.12670878  0.79030366  0.96271178  1
  H  H21  1  0.20574112  0.89501072  0.54689324  1
  C  C22  1  0.62613212  0.11667394  0.17543512  1
  C  C23  1  0.88572703  0.36892036  0.32813362  1
  C  C24  1  0.37387018  0.88332073  0.82456761  1
  C  C25  1  0.11426941  0.63108371  0.67186403  1
  C  C26  1  0.49781203  0.11770985  0.23037768  1
  C  C27  1  0.88420082  0.49682778  0.27325391  1
  C  C28  1  0.50219032  0.88228336  0.76962432  1
  C  C29  1  0.11579634  0.50317620  0.72674415  1
  C  C30  1  0.46850347  0.14404871  0.35776606  1
  C  C31  1  0.85627764  0.52594523  0.14569802  1
  C  C32  1  0.53149903  0.85594332  0.64223629  1
  C  C33  1  0.14372483  0.47405611  0.85429944  1
  C  C34  1  0.35462387  0.13829388  0.41344281  1
  C  C35  1  0.86089276  0.63956504  0.08873531  1
  C  C36  1  0.64537679  0.86170218  0.58655973  1
  C  C37  1  0.13911276  0.36043504  0.91126337  1
  C  C38  1  0.26905722  0.10706035  0.33873708  1
  C  C39  1  0.89134799  0.72697364  0.16177132  1
  C  C40  1  0.73094060  0.89293950  0.66126582  1
  C  C41  1  0.10865791  0.27302553  0.83822779  1
  C  C42  1  0.29507978  0.08444788  0.21208221  1
  C  C43  1  0.91201920  0.70273351  0.28870895  1
  C  C44  1  0.70491991  0.91555064  0.78792106  1
  C  C45  1  0.08798083  0.29726865  0.71129079  1
  C  C46  1  0.40871364  0.09113910  0.15620616  1
  C  C47  1  0.90965110  0.58810285  0.34637480  1
  C  C48  1  0.59128720  0.90885688  0.84379667  1
  C  C49  1  0.09034453  0.41190124  0.65362471  1
  N  N50  1  0.15838904  0.08115169  0.36561840  1
  N  N51  1  0.91506903  0.83925419  0.13362995  1
  N  N52  1  0.84160481  0.91885263  0.63438083  1
  N  N53  1  0.08493804  0.16074333  0.86636909  1
  N  N54  1  0.11827173  0.04401814  0.26273037  1
  N  N55  1  0.95211421  0.87966557  0.23503220  1
  N  N56  1  0.88172286  0.95598841  0.73726728  1
  N  N57  1  0.04788877  0.12033434  0.76496756  1
  N  N58  1  0.19664670  0.04828838  0.16858223  1
  N  N59  1  0.94166315  0.80471166  0.33139882  1
  N  N60  1  0.80335315  0.95171447  0.83141722  1
  N  N61  1  0.05833636  0.19529033  0.66860109  1
  O  O62  1  0.92555331  0.11431302  0.06308835  1
  O  O63  1  0.89199117  0.05892696  0.43219037  1
  O  O64  1  0.07444506  0.88568761  0.93690978  1
  O  O65  1  0.10800755  0.94107580  0.56780834  1
  O  O66  1  0.69809173  0.14802132  0.24830082  1
  O  O67  1  0.84717786  0.29938219  0.26078887  1
  O  O68  1  0.30190850  0.85197621  0.75170136  1
  O  O69  1  0.15281661  0.70062180  0.73920943  1
  O  O70  1  0.65389638  0.08283355  0.06282389  1
  O  O71  1  0.92693476  0.33658691  0.44044124  1
  O  O72  1  0.34610675  0.91715827  0.93717908  1
  O  O73  1  0.07306183  0.66341507  0.55955586  1
