# generated using pymatgen
data_Mn2CoNiH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11777195
_cell_length_b   10.13381066
_cell_length_c   12.55853329
_cell_angle_alpha   90.03431084
_cell_angle_beta   89.98681753
_cell_angle_gamma   106.43662255
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CoNiH28(C7N8)4
_chemical_formula_sum   'Mn2 Co1 Ni1 H28 C28 N32'
_cell_volume   990.89457128
_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
  Ni  Ni0  1  0.16032212  0.13284971  0.55643552  1
  Mn  Mn1  1  0.34333813  0.86863306  0.05334921  1
  Mn  Mn2  1  0.84429397  0.86920091  0.44720810  1
  Co  Co3  1  0.65892182  0.13287204  0.93992101  1
  H  H4  1  0.11243588  0.44874070  0.57914293  1
  H  H5  1  0.38396142  0.54956973  0.07930458  1
  H  H6  1  0.88397237  0.54975507  0.42022434  1
  H  H7  1  0.61267099  0.44961708  0.92131347  1
  H  H8  1  0.18638416  0.64835838  0.46064644  1
  H  H9  1  0.31061986  0.34900657  0.95937081  1
  H  H10  1  0.81105712  0.34920841  0.54030312  1
  H  H11  1  0.68717981  0.64955115  0.04031709  1
  H  H12  1  0.38774919  0.65296668  0.30406387  1
  H  H13  1  0.11029041  0.34526980  0.80276691  1
  H  H14  1  0.61014663  0.34532071  0.69654413  1
  H  H15  1  0.88941461  0.65392773  0.19638257  1
  H  H16  1  0.50295770  0.44931706  0.27895827  1
  H  H17  1  0.99615757  0.54913617  0.77772784  1
  H  H18  1  0.49644616  0.54933059  0.72202863  1
  H  H19  1  0.00414408  0.45001453  0.22133595  1
  H  H20  1  0.52650362  0.23107093  0.34426285  1
  H  H21  1  0.97366926  0.76860334  0.84265866  1
  H  H22  1  0.47271975  0.76851946  0.65666105  1
  H  H23  1  0.02549343  0.23115980  0.15578158  1
  H  H24  1  0.50207418  0.00727062  0.37747061  1
  H  H25  1  0.99756986  0.99460093  0.87695151  1
  H  H26  1  0.49698794  0.99464115  0.62294818  1
  H  H27  1  0.00169812  0.00715015  0.12238061  1
  H  H28  1  0.33242226  0.90340536  0.45647887  1
  H  H29  1  0.16750795  0.09607987  0.95631752  1
  H  H30  1  0.66696143  0.09617548  0.54369645  1
  H  H31  1  0.83233060  0.90394968  0.04326776  1
  C  C32  1  0.19487101  0.44749851  0.51069214  1
  C  C33  1  0.30350425  0.54984695  0.00977692  1
  C  C34  1  0.80368017  0.55001094  0.48986815  1
  C  C35  1  0.69478183  0.44878345  0.98998942  1
  C  C36  1  0.23869198  0.56253490  0.44396412  1
  C  C37  1  0.25891508  0.43511039  0.94292149  1
  C  C38  1  0.75927632  0.43533295  0.55668835  1
  C  C39  1  0.73935055  0.56367407  0.05682477  1
  C  C40  1  0.35044162  0.56564368  0.35825019  1
  C  C41  1  0.14774386  0.43271675  0.85703081  1
  C  C42  1  0.64811784  0.43296712  0.64263331  1
  C  C43  1  0.85150307  0.56642619  0.14230728  1
  C  C44  1  0.41564844  0.45478438  0.34363854  1
  C  C45  1  0.08334607  0.54400797  0.84249819  1
  C  C46  1  0.58362330  0.54424012  0.65720797  1
  C  C47  1  0.91648699  0.45539929  0.15690893  1
  C  C48  1  0.36316461  0.34141262  0.41321948  1
  C  C49  1  0.13650760  0.65756874  0.91183000  1
  C  C50  1  0.63650545  0.65771777  0.58786262  1
  C  C51  1  0.86298216  0.34193639  0.08745702  1
  C  C52  1  0.42459091  0.22225072  0.40316973  1
  C  C53  1  0.07525726  0.77651438  0.90196351  1
  C  C54  1  0.57481281  0.77649378  0.59765237  1
  C  C55  1  0.92394115  0.22251094  0.09665432  1
  C  C56  1  0.43554165  -0.00009277  0.45458572  1
  C  C57  1  0.06357849  0.99992463  0.95403595  1
  C  C58  1  0.56321198  0.99988071  0.54589049  1
  C  C59  1  0.93568526  0.00034566  0.04509310  1
  N  N60  1  0.25126975  0.33629662  0.49547510  1
  N  N61  1  0.25072611  0.66292666  0.99315510  1
  N  N62  1  0.75104986  0.66321651  0.50660357  1
  N  N63  1  0.75074587  0.33753335  0.00566579  1
  N  N64  1  0.35837246  0.11435040  0.46092152  1
  N  N65  1  0.14001048  0.88485935  0.96045623  1
  N  N66  1  0.64008576  0.88504961  0.53949772  1
  N  N67  1  0.85874196  0.11493840  0.03807559  1
  N  N68  1  0.03153022  0.91922149  0.57625222  1
  N  N69  1  0.47502882  0.08515835  0.07117974  1
  N  N70  1  0.97229911  0.08536385  0.42653825  1
  N  N71  1  0.52791576  0.91699027  0.92510805  1
  N  N72  1  0.09430685  0.83512948  0.61479075  1
  N  N73  1  0.41633593  0.17193002  0.10937861  1
  N  N74  1  0.91335971  0.17174666  0.38833150  1
  N  N75  1  0.59368484  0.83498793  0.88598158  1
  N  N76  1  0.15221522  0.74990355  0.64709880  1
  N  N77  1  0.35202916  0.25125364  0.14568580  1
  N  N78  1  0.84979820  0.25215089  0.35325658  1
  N  N79  1  0.65284379  0.75078830  0.85294476  1
  N  N80  1  0.96495910  0.20088233  0.65532268  1
  N  N81  1  0.52931474  0.80026939  0.15016362  1
  N  N82  1  0.03082869  0.80111070  0.35064252  1
  N  N83  1  0.47028880  0.19834396  0.84700295  1
  N  N84  1  0.87467111  0.15908400  0.72950081  1
  N  N85  1  0.62326895  0.84023038  0.22340225  1
  N  N86  1  0.12363460  0.84078644  0.27693000  1
  N  N87  1  0.37881002  0.15928019  0.77247254  1
  N  N88  1  0.77548548  0.11210901  0.79823055  1
  N  N89  1  0.72250260  0.88272071  0.29252203  1
  N  N90  1  0.22118213  0.88379127  0.20704490  1
  N  N91  1  0.27854677  0.11689845  0.70354538  1
