# generated using pymatgen
data_Mn2FeNiH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11663136
_cell_length_b   10.13566272
_cell_length_c   12.55319540
_cell_angle_alpha   90.04153162
_cell_angle_beta   89.98406788
_cell_angle_gamma   106.45475233
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2FeNiH28(C7N8)4
_chemical_formula_sum   'Mn2 Fe1 Ni1 H28 C28 N32'
_cell_volume   990.42263132
_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
  Fe  Fe0  1  0.15979066  0.12614333  0.55743961  1
  Mn  Mn1  1  0.34428229  0.86839076  0.05023251  1
  Mn  Mn2  1  0.84265194  0.86652238  0.44873851  1
  Ni  Ni3  1  0.66555766  0.12616522  0.94350507  1
  H  H4  1  0.11269301  0.45039940  0.58140408  1
  H  H5  1  0.38541179  0.55154790  0.08094708  1
  H  H6  1  0.88487933  0.55113009  0.41835873  1
  H  H7  1  0.61239236  0.44649602  0.91872855  1
  H  H8  1  0.18503572  0.64807265  0.46101258  1
  H  H9  1  0.31160590  0.35049733  0.96108301  1
  H  H10  1  0.81316225  0.35082559  0.53904575  1
  H  H11  1  0.68519197  0.64608914  0.03781867  1
  H  H12  1  0.38791338  0.65251355  0.30536035  1
  H  H13  1  0.10880136  0.34507055  0.80573384  1
  H  H14  1  0.61421326  0.34677223  0.69585839  1
  H  H15  1  0.88863097  0.65279826  0.19316289  1
  H  H16  1  0.49811417  0.44606990  0.27882996  1
  H  H17  1  0.99899731  0.55060302  0.77815436  1
  H  H18  1  0.50069076  0.55116588  0.72240242  1
  H  H19  1  -0.00052225  0.44698672  0.22077837  1
  H  H20  1  0.52480455  0.22823763  0.34803109  1
  H  H21  1  0.97116932  0.76852674  0.84711928  1
  H  H22  1  0.47236927  0.76863593  0.65385437  1
  H  H23  1  0.02872586  0.23182058  0.15299439  1
  H  H24  1  0.49563958  0.00309644  0.37796171  1
  H  H25  1  1.00641038  1.00028082  0.87745942  1
  H  H26  1  0.50649003  1.00032969  0.62345973  1
  H  H27  1  -0.00465653  -0.00024559  0.12299853  1
  H  H28  1  0.33151417  0.90024834  0.46097250  1
  H  H29  1  0.17173905  0.09878701  0.96204865  1
  H  H30  1  0.67174836  0.09856740  0.53884896  1
  H  H31  1  0.82993719  0.90056769  0.03766115  1
  C  C32  1  0.19256269  0.44810576  0.51174173  1
  C  C33  1  0.30699382  0.55205819  0.01049607  1
  C  C34  1  0.80678548  0.55167538  0.48899394  1
  C  C35  1  0.69330691  0.44514466  0.98793694  1
  C  C36  1  0.23724992  0.56228244  0.44445703  1
  C  C37  1  0.26101300  0.43701020  0.94412527  1
  C  C38  1  0.76226649  0.43723553  0.55594601  1
  C  C39  1  0.73723979  0.56029147  0.05465881  1
  C  C40  1  0.34858162  0.56423078  0.35853216  1
  C  C41  1  0.14942268  0.43411355  0.85825644  1
  C  C42  1  0.65197096  0.43499840  0.64244215  1
  C  C43  1  0.84899047  0.56389833  0.14048847  1
  C  C44  1  0.41179441  0.45237846  0.34385751  1
  C  C45  1  0.08632413  0.54594270  0.84297252  1
  C  C46  1  0.58776125  0.54635641  0.65743451  1
  C  C47  1  0.91282659  0.45250718  0.15574420  1
  C  C48  1  0.35840807  0.33939387  0.41383634  1
  C  C49  1  0.14046418  0.65990079  0.91178831  1
  C  C50  1  0.64054641  0.65973952  0.58808642  1
  C  C51  1  0.86036969  0.33896062  0.08605922  1
  C  C52  1  0.42013510  0.22061588  0.40488156  1
  C  C53  1  0.07743843  0.77799935  0.90321810  1
  C  C54  1  0.57749173  0.77796560  0.59691203  1
  C  C55  1  0.92366742  0.22053751  0.09602592  1
  C  C56  1  0.43347721  -0.00246786  0.45642384  1
  C  C57  1  0.06798273  1.00271411  0.95578864  1
  C  C58  1  0.56733554  1.00288795  0.54484839  1
  C  C59  1  0.93392501  -0.00374801  0.04443057  1
  N  N60  1  0.24556552  0.33517646  0.49580068  1
  N  N61  1  0.25621720  0.66589901  0.99235937  1
  N  N62  1  0.75543571  0.66532989  0.50708817  1
  N  N63  1  0.74864929  0.33368784  0.00381097  1
  N  N64  1  0.35328907  0.11067376  0.46165669  1
  N  N65  1  0.14529464  0.88796047  0.95957314  1
  N  N66  1  0.64396354  0.88753479  0.54005221  1
  N  N67  1  0.85694350  0.11072683  0.04045818  1
  N  N68  1  0.02899246  0.91780705  0.57927085  1
  N  N69  1  0.47095243  0.08330622  0.07563126  1
  N  N70  1  0.97766424  0.08606077  0.42979159  1
  N  N71  1  0.53437590  0.92095692  0.92051227  1
  N  N72  1  0.09667148  0.83641765  0.61826532  1
  N  N73  1  0.41080902  0.16980769  0.11227843  1
  N  N74  1  0.91633523  0.17088770  0.39026690  1
  N  N75  1  0.59878351  0.83725513  0.88283034  1
  N  N76  1  0.16080884  0.75486274  0.64977782  1
  N  N77  1  0.34707533  0.25087244  0.14609780  1
  N  N78  1  0.84893155  0.24771596  0.35394152  1
  N  N79  1  0.66119795  0.75416132  0.85166967  1
  N  N80  1  0.96135429  0.19461321  0.65447967  1
  N  N81  1  0.53191500  0.80506779  0.14742527  1
  N  N82  1  0.03349830  0.80534548  0.35289986  1
  N  N83  1  0.44850044  0.19880801  0.84170818  1
  N  N84  1  0.87617431  0.15746620  0.73203524  1
  N  N85  1  0.61908097  0.84210201  0.22396460  1
  N  N86  1  0.11939915  0.84210468  0.27569473  1
  N  N87  1  0.36708741  0.16207948  0.76395617  1
  N  N88  1  0.78557166  0.12862865  0.80650259  1
  N  N89  1  0.71147723  0.87933972  0.29710064  1
  N  N90  1  0.20971232  0.87688865  0.20145568  1
  N  N91  1  0.27656265  0.12463037  0.68926933  1
