# generated using pymatgen
data_Mn2CoNiH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11778357
_cell_length_b   10.13395474
_cell_length_c   12.55859527
_cell_angle_alpha   90.03439326
_cell_angle_beta   89.98887920
_cell_angle_gamma   106.43495700
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CoNiH28(C7N8)4
_chemical_formula_sum   'Mn2 Co1 Ni1 H28 C28 N32'
_cell_volume   990.92346628
_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
  Co  Co0  1  0.15671345  0.13090285  0.55581856  1
  Ni  Ni1  1  0.33904104  0.86548860  0.05607233  1
  Mn  Mn2  1  0.84273056  0.86803263  0.44468817  1
  Mn  Mn3  1  0.65629646  0.13047640  0.94544447  1
  H  H4  1  0.11292052  0.44935018  0.57901498  1
  H  H5  1  0.38527796  0.54996535  0.07971171  1
  H  H6  1  0.88412784  0.54958065  0.42015746  1
  H  H7  1  0.61389945  0.44989391  0.92180652  1
  H  H8  1  0.18649985  0.64868689  0.46011174  1
  H  H9  1  0.31142674  0.35091991  0.96066751  1
  H  H10  1  0.81115576  0.34979320  0.53985527  1
  H  H11  1  0.68773830  0.65011857  0.04110054  1
  H  H12  1  0.38797934  0.65368166  0.30346991  1
  H  H13  1  0.11133877  0.34639943  0.80368353  1
  H  H14  1  0.61096730  0.34581069  0.69686281  1
  H  H15  1  0.89142341  0.65566023  0.19660581  1
  H  H16  1  0.50359766  0.45012453  0.27836944  1
  H  H17  1  0.99724733  0.55072559  0.77840415  1
  H  H18  1  0.49698496  0.54971784  0.72218816  1
  H  H19  1  0.00518782  0.45172960  0.22183931  1
  H  H20  1  0.52587269  0.23120379  0.34422692  1
  H  H21  1  0.97455610  0.76910625  0.84399079  1
  H  H22  1  0.47356718  0.76862303  0.65608479  1
  H  H23  1  0.02683765  0.23222010  0.15674691  1
  H  H24  1  0.50176671  0.00701096  0.37701629  1
  H  H25  1  0.99929628  0.99395394  0.87787801  1
  H  H26  1  0.49716673  0.99398674  0.62223899  1
  H  H27  1  0.00335270  0.00641356  0.12317240  1
  H  H28  1  0.33170338  0.90317507  0.45574252  1
  H  H29  1  0.16953452  0.09691879  0.95740659  1
  H  H30  1  0.66725004  0.09618083  0.54293832  1
  H  H31  1  0.83324382  0.90418691  0.04385393  1
  C  C32  1  0.19467394  0.44847312  0.51017410  1
  C  C33  1  0.30354825  0.55146546  0.01102558  1
  C  C34  1  0.80366733  0.55002567  0.48964584  1
  C  C35  1  0.69525576  0.44977474  0.99091669  1
  C  C36  1  0.23902974  0.56319613  0.44328581  1
  C  C37  1  0.25956794  0.43677707  0.94391281  1
  C  C38  1  0.75919630  0.43558684  0.55672408  1
  C  C39  1  0.74035444  0.56463260  0.05767948  1
  C  C40  1  0.35078873  0.56612044  0.35758261  1
  C  C41  1  0.14860126  0.43390541  0.85784479  1
  C  C42  1  0.64833051  0.43328524  0.64274509  1
  C  C43  1  0.85259909  0.56759746  0.14307464  1
  C  C44  1  0.41609931  0.45528031  0.34298934  1
  C  C45  1  0.08396600  0.54503768  0.84331827  1
  C  C46  1  0.58388541  0.54457381  0.65722643  1
  C  C47  1  0.91718196  0.45634965  0.15740090  1
  C  C48  1  0.36302426  0.34197859  0.41254418  1
  C  C49  1  0.13646710  0.65813555  0.91326817  1
  C  C50  1  0.63688518  0.65769790  0.58762360  1
  C  C51  1  0.86339559  0.34276757  0.08812703  1
  C  C52  1  0.42398181  0.22251880  0.40310530  1
  C  C53  1  0.07582410  0.77774244  0.90323338  1
  C  C54  1  0.57557103  0.77658847  0.59714265  1
  C  C55  1  0.92488192  0.22392198  0.09766929  1
  C  C56  1  0.43519914  -0.00028802  0.45416060  1
  C  C57  1  0.06563404  1.00072639  0.95504716  1
  C  C58  1  0.56339982  0.99985289  0.54517885  1
  C  C59  1  0.93717915  0.00047167  0.04608730  1
  N  N60  1  0.25072033  0.33732381  0.49432962  1
  N  N61  1  0.24778580  0.66285594  0.99564094  1
  N  N62  1  0.75094772  0.66304398  0.50613675  1
  N  N63  1  0.74856796  0.33702537  0.00703717  1
  N  N64  1  0.35815166  0.11434274  0.46088824  1
  N  N65  1  0.14188890  0.88568309  0.96093464  1
  N  N66  1  0.64036295  0.88496352  0.53882227  1
  N  N67  1  0.86016129  0.11525549  0.03957905  1
  N  N68  1  0.02792807  0.91745078  0.57422321  1
  N  N69  1  0.46971800  0.08264195  0.07507126  1
  N  N70  1  0.97581698  0.08548423  0.42773846  1
  N  N71  1  0.52762022  0.91452384  0.92562288  1
  N  N72  1  0.09347510  0.83566337  0.61375063  1
  N  N73  1  0.40615626  0.16569969  0.11440889  1
  N  N74  1  0.91690329  0.17242120  0.39009576  1
  N  N75  1  0.58636141  0.82744212  0.88839764  1
  N  N76  1  0.15275030  0.75179279  0.64724944  1
  N  N77  1  0.34665803  0.24972317  0.14744995  1
  N  N78  1  0.85151720  0.25100803  0.35389410  1
  N  N79  1  0.65043963  0.74705407  0.85380242  1
  N  N80  1  0.97203333  0.19875735  0.64912276  1
  N  N81  1  0.52858052  0.79847176  0.14989054  1
  N  N82  1  0.03379962  0.80189462  0.34671573  1
  N  N83  1  0.46652977  0.19842910  0.84529329  1
  N  N84  1  0.88022519  0.15747651  0.72279916  1
  N  N85  1  0.62088192  0.84165392  0.22303390  1
  N  N86  1  0.12570357  0.83931151  0.27197494  1
  N  N87  1  0.37304976  0.16001735  0.77150226  1
  N  N88  1  0.78112554  0.11603178  0.79239432  1
  N  N89  1  0.72078448  0.88462149  0.29209934  1
  N  N90  1  0.22302769  0.88302819  0.20216722  1
  N  N91  1  0.27544307  0.11468892  0.70204320  1
