# generated using pymatgen
data_Mn2CrCoH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11804310
_cell_length_b   10.13656771
_cell_length_c   12.55654483
_cell_angle_alpha   90.03533866
_cell_angle_beta   89.98626717
_cell_angle_gamma   106.44460280
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CrCoH28(C7N8)4
_chemical_formula_sum   'Mn2 Cr1 Co1 H28 C28 N32'
_cell_volume   990.99958138
_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
  Cr  Cr0  1  0.15223905  0.12792520  0.55366317  1
  Co  Co1  1  0.34440109  0.87240473  0.05633752  1
  Mn  Mn2  1  0.84046098  0.86641460  0.44303045  1
  Mn  Mn3  1  0.65805352  0.13160410  0.94882813  1
  H  H4  1  0.11301785  0.44977077  0.58135770  1
  H  H5  1  0.38540964  0.54952050  0.08097700  1
  H  H6  1  0.88427777  0.54941914  0.41874505  1
  H  H7  1  0.61349906  0.44842592  0.92017558  1
  H  H8  1  0.18502040  0.64753527  0.46071825  1
  H  H9  1  0.31199804  0.35072365  0.96112019  1
  H  H10  1  0.81182576  0.34990188  0.53955332  1
  H  H11  1  0.68700578  0.64900041  0.03984483  1
  H  H12  1  0.38662696  0.65194945  0.30471693  1
  H  H13  1  0.11145690  0.34629622  0.80528682  1
  H  H14  1  0.61186891  0.34614831  0.69564342  1
  H  H15  1  0.88943630  0.65451380  0.19549290  1
  H  H16  1  0.50026941  0.44840871  0.27898815  1
  H  H17  1  0.99921417  0.55157284  0.77863656  1
  H  H18  1  0.49971590  0.55123265  0.72211578  1
  H  H19  1  0.00326262  0.45079090  0.22136840  1
  H  H20  1  0.52606075  0.22893923  0.34629600  1
  H  H21  1  0.97347550  0.76892308  0.84746865  1
  H  H22  1  0.47403510  0.76803630  0.65458937  1
  H  H23  1  0.02945277  0.23262086  0.15407747  1
  H  H24  1  0.49745228  0.00236903  0.37667805  1
  H  H25  1  1.00407120  0.99765330  0.87820873  1
  H  H26  1  0.50069430  0.99671645  0.62166773  1
  H  H27  1  -0.00085083  0.00277513  0.12317934  1
  H  H28  1  0.33031889  0.89934236  0.45809591  1
  H  H29  1  0.17194798  0.09830281  0.96090124  1
  H  H30  1  0.66742490  0.09722077  0.53941111  1
  H  H31  1  0.83206763  0.90227597  0.04071739  1
  C  C32  1  0.19369587  0.44783495  0.51206252  1
  C  C33  1  0.30517449  0.55146116  0.01161156  1
  C  C34  1  0.80558701  0.55048483  0.48901632  1
  C  C35  1  0.69309725  0.44808047  0.99012532  1
  C  C36  1  0.23761934  0.56181163  0.44474950  1
  C  C37  1  0.26080004  0.43693768  0.94450343  1
  C  C38  1  0.76099311  0.43634251  0.55627276  1
  C  C39  1  0.73847919  0.56293343  0.05668888  1
  C  C40  1  0.34890002  0.56433261  0.35866875  1
  C  C41  1  0.14989958  0.43468174  0.85846012  1
  C  C42  1  0.65043911  0.43442352  0.64249229  1
  C  C43  1  0.85048968  0.56611046  0.14231263  1
  C  C44  1  0.41365895  0.45319315  0.34421852  1
  C  C45  1  0.08587323  0.54608501  0.84362430  1
  C  C46  1  0.58691010  0.54614995  0.65729882  1
  C  C47  1  0.91480423  0.45483178  0.15703553  1
  C  C48  1  0.36134185  0.33988656  0.41392611  1
  C  C49  1  0.13893344  0.65912778  0.91368495  1
  C  C50  1  0.64020248  0.65911592  0.58759030  1
  C  C51  1  0.86086773  0.34087894  0.08821037  1
  C  C52  1  0.42215384  0.22082190  0.40396065  1
  C  C53  1  0.07753995  0.77856503  0.90485711  1
  C  C54  1  0.57754648  0.77739208  0.59651678  1
  C  C55  1  0.92418933  0.22294979  0.09716263  1
  C  C56  1  0.43287799  -0.00356561  0.45437109  1
  C  C57  1  0.06769576  1.00250536  0.95603430  1
  C  C58  1  0.56430325  1.00062532  0.54388715  1
  C  C59  1  0.93576324  -0.00151751  0.04535881  1
  N  N60  1  0.24816397  0.33515093  0.49631815  1
  N  N61  1  0.25074548  0.66330888  0.99550341  1
  N  N62  1  0.75456957  0.66422978  0.50629072  1
  N  N63  1  0.74501596  0.33461556  0.00750253  1
  N  N64  1  0.35334900  0.11015466  0.45979052  1
  N  N65  1  0.14486542  0.88795645  0.96102844  1
  N  N66  1  0.64274411  0.88651799  0.53900111  1
  N  N67  1  0.85783174  0.11290248  0.04077586  1
  N  N68  1  0.03584950  0.92166874  0.57634854  1
  N  N69  1  0.47215610  0.08217039  0.07693120  1
  N  N70  1  0.98385848  0.09111796  0.42830291  1
  N  N71  1  0.52421767  0.91649153  0.92741248  1
  N  N72  1  0.09654573  0.83682545  0.61642391  1
  N  N73  1  0.40317877  0.16241287  0.11558747  1
  N  N74  1  0.91816455  0.17273817  0.38786322  1
  N  N75  1  0.58342350  0.82905473  0.89071688  1
  N  N76  1  0.15517724  0.75282020  0.64923093  1
  N  N77  1  0.34018743  0.24417888  0.14873887  1
  N  N78  1  0.84794760  0.24807384  0.35242373  1
  N  N79  1  0.64914411  0.74999406  0.85572558  1
  N  N80  1  0.96623411  0.19273289  0.64579851  1
  N  N81  1  0.52835250  0.80268330  0.14878826  1
  N  N82  1  0.03483328  0.80313505  0.34492171  1
  N  N83  1  0.45583626  0.19103306  0.84561809  1
  N  N84  1  0.87869315  0.15378140  0.72225492  1
  N  N85  1  0.61846265  0.84388134  0.22308698  1
  N  N86  1  0.12640899  0.84061678  0.27019741  1
  N  N87  1  0.37254608  0.16022647  0.76763756  1
  N  N88  1  0.78746759  0.12057721  0.79600392  1
  N  N89  1  0.71577204  0.88291994  0.29404025  1
  N  N90  1  0.22125441  0.88464564  0.19933807  1
  N  N91  1  0.29196289  0.14018483  0.68781801  1
