# generated using pymatgen
data_Mn2CoNiH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11765416
_cell_length_b   10.13384198
_cell_length_c   12.55815651
_cell_angle_alpha   90.03432186
_cell_angle_beta   89.98909028
_cell_angle_gamma   106.43705469
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CoNiH28(C7N8)4
_chemical_formula_sum   'Mn2 Co1 Ni1 H28 C28 N32'
_cell_volume   990.85132436
_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  0.15698572  0.13130972  0.55247956  1
  Ni  Ni1  1  0.33915690  0.86670813  0.05744202  1
  Co  Co2  1  0.84175318  0.86771486  0.43991703  1
  Mn  Mn3  1  0.65614347  0.13051875  0.94794079  1
  H  H4  1  0.11403034  0.44914312  0.57882790  1
  H  H5  1  0.38544439  0.55005911  0.07992385  1
  H  H6  1  0.88533353  0.54961458  0.41961600  1
  H  H7  1  0.61407244  0.44959323  0.92173478  1
  H  H8  1  0.18729299  0.64983814  0.45913521  1
  H  H9  1  0.31148647  0.35086523  0.96086412  1
  H  H10  1  0.81168615  0.35042463  0.53909376  1
  H  H11  1  0.68790372  0.65040310  0.04144900  1
  H  H12  1  0.38885995  0.65464810  0.30301901  1
  H  H13  1  0.11141264  0.34676190  0.80387995  1
  H  H14  1  0.61203952  0.34703114  0.69626404  1
  H  H15  1  0.89158726  0.65592735  0.19648567  1
  H  H16  1  0.50418275  0.45136660  0.27800154  1
  H  H17  1  0.99769011  0.55125075  0.77863197  1
  H  H18  1  0.49790926  0.55132623  0.72155967  1
  H  H19  1  0.00524750  0.45190591  0.22185076  1
  H  H20  1  0.52743360  0.23199890  0.34316091  1
  H  H21  1  0.97473712  0.76944124  0.84440226  1
  H  H22  1  0.47503867  0.76956775  0.65501213  1
  H  H23  1  0.02737160  0.23218004  0.15697124  1
  H  H24  1  0.50319035  0.00583979  0.37617520  1
  H  H25  1  0.99910934  0.99389451  0.87830296  1
  H  H26  1  0.49889473  0.99375799  0.62148046  1
  H  H27  1  0.00307818  0.00567891  0.12365590  1
  H  H28  1  0.33335396  0.90370502  0.45541180  1
  H  H29  1  0.16900877  0.09681634  0.95804680  1
  H  H30  1  0.66869825  0.09672350  0.54225097  1
  H  H31  1  0.83314315  0.90397641  0.04416729  1
  C  C32  1  0.19491922  0.44926444  0.50944298  1
  C  C33  1  0.30381430  0.55168256  0.01119925  1
  C  C34  1  0.80432478  0.55098067  0.48871729  1
  C  C35  1  0.69512928  0.44962895  0.99100548  1
  C  C36  1  0.23955146  0.56401679  0.44276803  1
  C  C37  1  0.25984565  0.43692424  0.94415913  1
  C  C38  1  0.76018928  0.43654612  0.55586184  1
  C  C39  1  0.74023117  0.56458770  0.05758308  1
  C  C40  1  0.35138360  0.56701097  0.35709998  1
  C  C41  1  0.14885770  0.43420618  0.85809419  1
  C  C42  1  0.64931043  0.43433213  0.64199020  1
  C  C43  1  0.85258726  0.56773725  0.14300174  1
  C  C44  1  0.41639945  0.45601421  0.34258207  1
  C  C45  1  0.08446228  0.54550783  0.84353601  1
  C  C46  1  0.58472930  0.54558502  0.65666446  1
  C  C47  1  0.91720637  0.45651945  0.15743171  1
  C  C48  1  0.36314566  0.34235972  0.41166235  1
  C  C49  1  0.13702337  0.65860082  0.91349767  1
  C  C50  1  0.63759872  0.65853162  0.58673802  1
  C  C51  1  0.86347792  0.34270228  0.08840004  1
  C  C52  1  0.42501406  0.22372806  0.40190332  1
  C  C53  1  0.07611988  0.77804091  0.90356452  1
  C  C54  1  0.57662669  0.77798211  0.59596953  1
  C  C55  1  0.92523570  0.22399949  0.09804955  1
  C  C56  1  0.43698537  0.00014333  0.45323151  1
  C  C57  1  0.06533312  1.00054327  0.95548512  1
  C  C58  1  0.56515027  1.00029492  0.54427467  1
  C  C59  1  0.93701711  0.00025687  0.04655927  1
  N  N60  1  0.24834073  0.33652410  0.49277147  1
  N  N61  1  0.24840137  0.66327270  0.99590961  1
  N  N62  1  0.74920171  0.66259079  0.50461459  1
  N  N63  1  0.74821812  0.33670986  0.00752440  1
  N  N64  1  0.36006109  0.11494446  0.45977023  1
  N  N65  1  0.14209231  0.88580350  0.96153299  1
  N  N66  1  0.64194156  0.88556432  0.53752546  1
  N  N67  1  0.86021637  0.11512058  0.04016974  1
  N  N68  1  0.02424936  0.91475577  0.57084847  1
  N  N69  1  0.46850208  0.08102058  0.07678479  1
  N  N70  1  0.97210258  0.08246764  0.42404493  1
  N  N71  1  0.52776120  0.91435246  0.92732722  1
  N  N72  1  0.08291814  0.82797973  0.60896516  1
  N  N73  1  0.40522525  0.16494121  0.11519325  1
  N  N74  1  0.90590544  0.16423815  0.38514818  1
  N  N75  1  0.58646654  0.82784470  0.88901572  1
  N  N76  1  0.14761653  0.74898641  0.64524836  1
  N  N77  1  0.34657967  0.24977892  0.14746405  1
  N  N78  1  0.84618615  0.24805272  0.35211548  1
  N  N79  1  0.64999355  0.74738552  0.85396149  1
  N  N80  1  0.96901481  0.19842614  0.64961156  1
  N  N81  1  0.53387229  0.79800282  0.15582141  1
  N  N82  1  0.03080826  0.80156187  0.34718197  1
  N  N83  1  0.46995044  0.19878404  0.85049271  1
  N  N84  1  0.87716174  0.15879548  0.72379915  1
  N  N85  1  0.62557126  0.84034535  0.22928019  1
  N  N86  1  0.12186970  0.84077895  0.27255528  1
  N  N87  1  0.37789816  0.15941361  0.77641003  1
  N  N88  1  0.77953792  0.11642322  0.79377148  1
  N  N89  1  0.72573746  0.88717275  0.29757867  1
  N  N90  1  0.22166577  0.88325165  0.20339558  1
  N  N91  1  0.27999408  0.11700737  0.70655160  1
