# generated using pymatgen
data_Mn2CoNiH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11787488
_cell_length_b   10.13373704
_cell_length_c   12.55903559
_cell_angle_alpha   90.04225173
_cell_angle_beta   89.97940040
_cell_angle_gamma   106.43413277
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CoNiH28(C7N8)4
_chemical_formula_sum   'Mn2 Co1 Ni1 H28 C28 N32'
_cell_volume   990.95216873
_cell_formula_units_Z   1
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
  Mn  Mn0  1  0.15946294  0.13414070  0.55600609  1
  Co  Co1  1  0.34595895  0.87156694  0.05398642  1
  Mn  Mn2  1  0.84068830  0.86578670  0.44376729  1
  Ni  Ni3  1  0.66007624  0.13347935  0.94630736  1
  H  H4  1  0.11389630  0.44939561  0.57876146  1
  H  H5  1  0.38534909  0.54936310  0.07941986  1
  H  H6  1  0.88389926  0.54942423  0.42024625  1
  H  H7  1  0.61244761  0.44898016  0.92162675  1
  H  H8  1  0.18723786  0.64969811  0.45917060  1
  H  H9  1  0.31142113  0.35030419  0.96070962  1
  H  H10  1  0.81112057  0.34963943  0.54019636  1
  H  H11  1  0.68688958  0.64849838  0.03973605  1
  H  H12  1  0.38843236  0.65453976  0.30290050  1
  H  H13  1  0.10973743  0.34568754  0.80396458  1
  H  H14  1  0.61158091  0.34587900  0.69737968  1
  H  H15  1  0.88988420  0.65432740  0.19589100  1
  H  H16  1  0.50405112  0.45130989  0.27779536  1
  H  H17  1  0.99638158  0.55023104  0.77850525  1
  H  H18  1  0.49688984  0.54956371  0.72247963  1
  H  H19  1  0.00438523  0.45039620  0.22113755  1
  H  H20  1  0.52636616  0.23141136  0.34295633  1
  H  H21  1  0.97465367  0.76909475  0.84454898  1
  H  H22  1  0.47409584  0.76911340  0.65687721  1
  H  H23  1  0.02679800  0.23189844  0.15598729  1
  H  H24  1  0.50346849  0.00693148  0.37699589  1
  H  H25  1  0.99869887  0.99337032  0.87768491  1
  H  H26  1  0.49702262  0.99367779  0.62224447  1
  H  H27  1  0.00209193  0.00693072  0.12285647  1
  H  H28  1  0.33273361  0.90441003  0.45531265  1
  H  H29  1  0.16837673  0.09686968  0.95718354  1
  H  H30  1  0.66805475  0.09584584  0.54392145  1
  H  H31  1  0.83228322  0.90341636  0.04311302  1
  C  C32  1  0.19541409  0.44960381  0.50967887  1
  C  C33  1  0.30427583  0.55096197  0.01040741  1
  C  C34  1  0.80318962  0.54973236  0.48964354  1
  C  C35  1  0.69502791  0.44789911  0.98995624  1
  C  C36  1  0.23991492  0.56413728  0.44278616  1
  C  C37  1  0.25963283  0.43614392  0.94353856  1
  C  C38  1  0.75894008  0.43540626  0.55680418  1
  C  C39  1  0.73945277  0.56299465  0.05668310  1
  C  C40  1  0.35154496  0.56700309  0.35696252  1
  C  C41  1  0.14817999  0.43357255  0.85775499  1
  C  C42  1  0.64827874  0.43314197  0.64300669  1
  C  C43  1  0.85168683  0.56640198  0.14211634  1
  C  C44  1  0.41671993  0.45603160  0.34259790  1
  C  C45  1  0.08372296  0.54477649  0.84313646  1
  C  C46  1  0.58359005  0.54438227  0.65742632  1
  C  C47  1  0.91669099  0.45549795  0.15661062  1
  C  C48  1  0.36372431  0.34269510  0.41199768  1
  C  C49  1  0.13716403  0.65807901  0.91283425  1
  C  C50  1  0.63623662  0.65742772  0.58772612  1
  C  C51  1  0.86366188  0.34198346  0.08709294  1
  C  C52  1  0.42496374  0.22380352  0.40225046  1
  C  C53  1  0.07638291  0.77765273  0.90349130  1
  C  C54  1  0.57529477  0.77649580  0.59747340  1
  C  C55  1  0.92495071  0.22271969  0.09706315  1
  C  C56  1  0.43669882  0.00065659  0.45396630  1
  C  C57  1  0.06477413  1.00044124  0.95490647  1
  C  C58  1  0.56380152  0.99975563  0.54533205  1
  C  C59  1  0.93582983  -0.00023355  0.04570050  1
  N  N60  1  0.24944634  0.33705571  0.49350403  1
  N  N61  1  0.24961204  0.66276292  0.99446243  1
  N  N62  1  0.74989015  0.66257879  0.50596082  1
  N  N63  1  0.75133794  0.33668591  0.00520754  1
  N  N64  1  0.35986948  0.11565014  0.46087589  1
  N  N65  1  0.14210697  0.88595118  0.96124576  1
  N  N66  1  0.64007090  0.88449634  0.53868476  1
  N  N67  1  0.85873116  0.11442180  0.03978073  1
  N  N68  1  0.03049680  0.91428015  0.57322878  1
  N  N69  1  0.47309736  0.08104420  0.07529594  1
  N  N70  1  0.96924551  0.08566510  0.42647249  1
  N  N71  1  0.52543866  0.91825117  0.92717921  1
  N  N72  1  0.09004940  0.82941622  0.61376550  1
  N  N73  1  0.40902002  0.16495797  0.11246715  1
  N  N74  1  0.90969811  0.17041103  0.38581757  1
  N  N75  1  0.58626597  0.83186262  0.89068862  1
  N  N76  1  0.15152846  0.74741406  0.64790250  1
  N  N77  1  0.34909793  0.24883519  0.14577394  1
  N  N78  1  0.84798973  0.25210508  0.35133218  1
  N  N79  1  0.64927866  0.75104228  0.85523363  1
  N  N80  1  0.96811578  0.19921745  0.65385874  1
  N  N81  1  0.52726825  0.80049521  0.14872516  1
  N  N82  1  0.03307637  0.79994421  0.34550401  1
  N  N83  1  0.47020632  0.20041016  0.85096247  1
  N  N84  1  0.87467741  0.16036429  0.72783183  1
  N  N85  1  0.61998345  0.84137563  0.22196983  1
  N  N86  1  0.12718025  0.83984777  0.27209398  1
  N  N87  1  0.37973714  0.15820937  0.77692418  1
  N  N88  1  0.77640361  0.11493738  0.79685813  1
  N  N89  1  0.71986133  0.88283443  0.29126551  1
  N  N90  1  0.22578016  0.88710000  0.20362743  1
  N  N91  1  0.28126522  0.11604665  0.70689766  1
