# generated using pymatgen
data_Mn2CrNiH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11726388
_cell_length_b   10.13677746
_cell_length_c   12.55404537
_cell_angle_alpha   90.03259782
_cell_angle_beta   89.98532433
_cell_angle_gamma   106.45202075
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CrNiH28(C7N8)4
_chemical_formula_sum   'Mn2 Cr1 Ni1 H28 C28 N32'
_cell_volume   990.68987081
_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  0.16301081  0.13253329  0.55910052  1
  Cr  Cr1  1  0.34885525  0.87158149  0.05239650  1
  Mn  Mn2  1  0.84599336  0.86980370  0.44924144  1
  Mn  Mn3  1  0.65909764  0.13339412  0.94339883  1
  H  H4  1  0.11232806  0.44695491  0.58206848  1
  H  H5  1  0.38504168  0.55010450  0.08285169  1
  H  H6  1  0.88586865  0.55181050  0.41832336  1
  H  H7  1  0.61333034  0.44908731  0.91921198  1
  H  H8  1  0.18524207  0.64656012  0.46277999  1
  H  H9  1  0.31349156  0.35246484  0.96172162  1
  H  H10  1  0.81225125  0.35121521  0.53775751  1
  H  H11  1  0.68605051  0.64931672  0.03997871  1
  H  H12  1  0.38670678  0.65265437  0.30723490  1
  H  H13  1  0.11282738  0.34849710  0.80526221  1
  H  H14  1  0.60943528  0.34582024  0.69333950  1
  H  H15  1  0.88842344  0.65419553  0.19472727  1
  H  H16  1  0.49918634  0.44736068  0.27949963  1
  H  H17  1  1.00191636  0.55354654  0.77870792  1
  H  H18  1  0.49991273  0.55147783  0.72122121  1
  H  H19  1  -0.00105072  0.44834605  0.22203541  1
  H  H20  1  0.52951104  0.23168724  0.34897533  1
  H  H21  1  0.97396397  0.77194749  0.84688856  1
  H  H22  1  0.47018869  0.76794340  0.65215288  1
  H  H23  1  0.02624144  0.23200951  0.15381759  1
  H  H24  1  0.49210547  -0.00113141  0.37728149  1
  H  H25  1  1.00784403  1.00229846  0.87649534  1
  H  H26  1  0.50581421  1.00088946  0.62267224  1
  H  H27  1  -0.00414889  0.00064092  0.12186006  1
  H  H28  1  0.32716688  0.90093448  0.46350152  1
  H  H29  1  0.17249824  0.10196004  0.96099145  1
  H  H30  1  0.67032226  0.09884500  0.53727203  1
  H  H31  1  0.83215363  0.90240029  0.03665379  1
  C  C32  1  0.19318084  0.44577580  0.51282291  1
  C  C33  1  0.30576440  0.55247562  0.01293827  1
  C  C34  1  0.80770357  0.55279490  0.48887320  1
  C  C35  1  0.69216502  0.44847767  0.98947456  1
  C  C36  1  0.23703987  0.56065108  0.44592988  1
  C  C37  1  0.26182122  0.43855450  0.94547008  1
  C  C38  1  0.76197786  0.43782440  0.55518982  1
  C  C39  1  0.73721240  0.56298694  0.05643357  1
  C  C40  1  0.34849216  0.56391525  0.36002706  1
  C  C41  1  0.15125024  0.43635664  0.85904668  1
  C  C42  1  0.65045609  0.43497323  0.64110208  1
  C  C43  1  0.84873217  0.56536622  0.14219532  1
  C  C44  1  0.41293393  0.45278540  0.34480024  1
  C  C45  1  0.08753399  0.54796357  0.84425779  1
  C  C46  1  0.58732312  0.54682465  0.65640103  1
  C  C47  1  0.91190631  0.45351892  0.15718067  1
  C  C48  1  0.36071333  0.33945105  0.41452635  1
  C  C49  1  0.13979573  0.66124743  0.91399384  1
  C  C50  1  0.64102119  0.66066122  0.58754480  1
  C  C51  1  0.85820413  0.34012848  0.08779394  1
  C  C52  1  0.42344341  0.22064840  0.40522414  1
  C  C53  1  0.07894755  0.78035640  0.90382473  1
  C  C54  1  0.57697535  0.77837830  0.59618693  1
  C  C55  1  0.92162847  0.22213021  0.09637220  1
  C  C56  1  0.43158413  -0.00366486  0.45605974  1
  C  C57  1  0.06951123  1.00547699  0.95492001  1
  C  C58  1  0.56654758  1.00295100  0.54415917  1
  C  C59  1  0.93512514  -0.00116489  0.04330038  1
  N  N60  1  0.24858758  0.33441813  0.49650612  1
  N  N61  1  0.25270847  0.66575674  0.99649216  1
  N  N62  1  0.75712153  0.66679315  0.50692771  1
  N  N63  1  0.74314912  0.33472361  0.00692780  1
  N  N64  1  0.35502137  0.11127836  0.46078185  1
  N  N65  1  0.14815339  0.89127132  0.95923692  1
  N  N66  1  0.64423131  0.88854755  0.54026092  1
  N  N67  1  0.85650340  0.11285790  0.03891945  1
  N  N68  1  0.03231511  0.91847386  0.57925369  1
  N  N69  1  0.46250797  0.07705997  0.07888901  1
  N  N70  1  0.96771287  0.08213911  0.42087210  1
  N  N71  1  0.51637400  0.90915161  0.92788578  1
  N  N72  1  0.09935761  0.83695903  0.61739090  1
  N  N73  1  0.40021635  0.16118457  0.11842495  1
  N  N74  1  0.90729781  0.16891574  0.38541756  1
  N  N75  1  0.58183477  0.82682909  0.88817869  1
  N  N76  1  0.16332471  0.75540004  0.64975248  1
  N  N77  1  0.34093890  0.24503251  0.15104529  1
  N  N78  1  0.84459396  0.25183454  0.35395370  1
  N  N79  1  0.65238577  0.75204319  0.85222931  1
  N  N80  1  0.96696671  0.19621858  0.64845544  1
  N  N81  1  0.53561414  0.80952850  0.14480479  1
  N  N82  1  0.04880647  0.81151565  0.34662225  1
  N  N83  1  0.46369372  0.19270015  0.84695088  1
  N  N84  1  0.88088656  0.15582490  0.72454837  1
  N  N85  1  0.62021769  0.84475697  0.22305490  1
  N  N86  1  0.12686489  0.83785434  0.26632043  1
  N  N87  1  0.37924661  0.16060148  0.76852404  1
  N  N88  1  0.78903819  0.11578046  0.79795283  1
  N  N89  1  0.70977282  0.87529725  0.29771595  1
  N  N90  1  0.20561957  0.85447543  0.18576438  1
  N  N91  1  0.28837348  0.12979809  0.69448179  1
