# generated using pymatgen
data_Mn2CrFeH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11723604
_cell_length_b   10.13737002
_cell_length_c   12.55488135
_cell_angle_alpha   90.03378741
_cell_angle_beta   89.97528061
_cell_angle_gamma   106.44830847
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CrFeH28(C7N8)4
_chemical_formula_sum   'Mn2 Cr1 Fe1 H28 C28 N32'
_cell_volume   990.82926997
_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
  Mn  Mn0  1  0.16005852  0.13343181  0.55362911  1
  Fe  Fe1  1  0.33637768  0.87593904  0.05679314  1
  Cr  Cr2  1  0.84920243  0.87302417  0.44426273  1
  Mn  Mn3  1  0.65839484  0.13324101  0.94838582  1
  H  H4  1  0.11374827  0.44859706  0.58032766  1
  H  H5  1  0.38574163  0.54860069  0.08116508  1
  H  H6  1  0.88603178  0.54924153  0.41698908  1
  H  H7  1  0.61345440  0.44828864  0.92000072  1
  H  H8  1  0.18619795  0.64924215  0.46007504  1
  H  H9  1  0.31265017  0.35075633  0.96122891  1
  H  H10  1  0.81363016  0.35215840  0.53818908  1
  H  H11  1  0.68638291  0.64909565  0.04025031  1
  H  H12  1  0.38775988  0.65450095  0.30468268  1
  H  H13  1  0.11132694  0.34709665  0.80451882  1
  H  H14  1  0.61311124  0.34900331  0.69462875  1
  H  H15  1  0.88887877  0.65489939  0.19501076  1
  H  H16  1  0.50136195  0.45018294  0.27801055  1
  H  H17  1  1.00011889  0.55279482  0.77899132  1
  H  H18  1  0.50157433  0.55368092  0.72040571  1
  H  H19  1  0.00277879  0.45062810  0.22139389  1
  H  H20  1  0.52831749  0.23279129  0.34554762  1
  H  H21  1  0.97419141  0.77110748  0.84807711  1
  H  H22  1  0.47519265  0.77234780  0.65215335  1
  H  H23  1  0.02934685  0.23275016  0.15351787  1
  H  H24  1  0.49824924  0.00204377  0.37652100  1
  H  H25  1  1.00402188  0.99679813  0.87813805  1
  H  H26  1  0.50521015  0.99897256  0.62171128  1
  H  H27  1  -0.00368744  0.00169434  0.12343026  1
  H  H28  1  0.33231894  0.90236240  0.45987229  1
  H  H29  1  0.16941627  0.09951401  0.96034300  1
  H  H30  1  0.67078207  0.10096551  0.53904109  1
  H  H31  1  0.83015231  0.90213311  0.04009328  1
  C  C32  1  0.19302946  0.44849115  0.51017131  1
  C  C33  1  0.30591396  0.55101201  0.01155123  1
  C  C34  1  0.80622564  0.55199551  0.48661427  1
  C  C35  1  0.69275726  0.44821996  0.99009924  1
  C  C36  1  0.23767287  0.56310197  0.44341594  1
  C  C37  1  0.26117380  0.43677968  0.94427516  1
  C  C38  1  0.76198677  0.43834093  0.55428328  1
  C  C39  1  0.73802498  0.56302740  0.05670683  1
  C  C40  1  0.34928709  0.56593850  0.35756656  1
  C  C41  1  0.15029565  0.43492906  0.85820635  1
  C  C42  1  0.65138042  0.43653320  0.64062377  1
  C  C43  1  0.85009669  0.56611601  0.14230706  1
  C  C44  1  0.41362299  0.45465666  0.34268376  1
  C  C45  1  0.08696597  0.54670331  0.84372310  1
  C  C46  1  0.58774991  0.54823368  0.65508710  1
  C  C47  1  0.91457245  0.45493206  0.15701227  1
  C  C48  1  0.36023570  0.34103176  0.41180262  1
  C  C49  1  0.14044337  0.65968585  0.91377917  1
  C  C50  1  0.64024827  0.66107970  0.58497143  1
  C  C51  1  0.86063951  0.34107602  0.08810094  1
  C  C52  1  0.42346422  0.22300326  0.40280550  1
  C  C53  1  0.07883161  0.77843670  0.90480136  1
  C  C54  1  0.57950072  0.78009679  0.59481245  1
  C  C55  1  0.92388196  0.22308956  0.09681445  1
  C  C56  1  0.43566714  -0.00117720  0.45465049  1
  C  C57  1  0.06676155  1.00260998  0.95638156  1
  C  C58  1  0.56836039  1.00398650  0.54363161  1
  C  C59  1  0.93406869  -0.00178631  0.04521121  1
  N  N60  1  0.24485230  0.33510275  0.49255880  1
  N  N61  1  0.25297749  0.66386915  0.99583465  1
  N  N62  1  0.75304846  0.66531748  0.50225824  1
  N  N63  1  0.74462794  0.33479001  0.00770872  1
  N  N64  1  0.35754963  0.11313826  0.45951425  1
  N  N65  1  0.14532087  0.88859858  0.96154802  1
  N  N66  1  0.64807185  0.89040861  0.53847343  1
  N  N67  1  0.85696613  0.11318726  0.04030802  1
  N  N68  1  0.01770220  0.90844579  0.56804088  1
  N  N69  1  0.47019879  0.08149348  0.07897012  1
  N  N70  1  0.96411614  0.07792969  0.42114688  1
  N  N71  1  0.51967271  0.91392950  0.93252929  1
  N  N72  1  0.08176403  0.82699229  0.61028762  1
  N  N73  1  0.40381189  0.16386875  0.11788364  1
  N  N74  1  0.90161626  0.16221024  0.38187949  1
  N  N75  1  0.58050397  0.82888015  0.89264643  1
  N  N76  1  0.15071776  0.75220095  0.64778892  1
  N  N77  1  0.34020247  0.24572351  0.14955976  1
  N  N78  1  0.84245712  0.24615629  0.34959140  1
  N  N79  1  0.64798558  0.75296533  0.85479552  1
  N  N80  1  0.96805316  0.19627998  0.64892218  1
  N  N81  1  0.54555176  0.80502279  0.15357841  1
  N  N82  1  0.04453993  0.81157359  0.34669374  1
  N  N83  1  0.46849811  0.19578389  0.85158627  1
  N  N84  1  0.87932453  0.15737248  0.72457499  1
  N  N85  1  0.62660629  0.83854276  0.23211083  1
  N  N86  1  0.12837345  0.84522881  0.26850956  1
  N  N87  1  0.38001399  0.15788303  0.77574469  1
  N  N88  1  0.78555983  0.11652390  0.79668579  1
  N  N89  1  0.70891248  0.86126034  0.31118276  1
  N  N90  1  0.21947860  0.87409995  0.19378318  1
  N  N91  1  0.28577879  0.11720883  0.70384098  1
