# generated using pymatgen
data_MnCrH14(C7N8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11908548
_cell_length_b   10.13691111
_cell_length_c   12.55763489
_cell_angle_alpha   90.04670022
_cell_angle_beta   89.97331089
_cell_angle_gamma   106.45600663
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCrH14(C7N8)2
_chemical_formula_sum   'Mn2 Cr2 H28 C28 N32'
_cell_volume   991.18802928
_cell_formula_units_Z   2
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  0.16069877  0.13223515  0.55073583  1
  Cr  Cr1  1  0.34807545  0.87161000  0.05359933  1
  Mn  Mn2  1  0.83952567  0.86740618  0.44896444  1
  Cr  Cr3  1  0.65205471  0.12827027  0.94687114  1
  H  H4  1  0.11375959  0.44817820  0.58058909  1
  H  H5  1  0.38663458  0.55107344  0.08260914  1
  H  H6  1  0.88443639  0.55086588  0.41849581  1
  H  H7  1  0.61170924  0.44816797  0.91832224  1
  H  H8  1  0.18653361  0.64851510  0.46059776  1
  H  H9  1  0.31380308  0.35262814  0.96218729  1
  H  H10  1  0.81185898  0.35089551  0.53878168  1
  H  H11  1  0.68471877  0.64683178  0.03854226  1
  H  H12  1  0.38838936  0.65441056  0.30538064  1
  H  H13  1  0.11287604  0.34821891  0.80618537  1
  H  H14  1  0.61167455  0.34595647  0.69470105  1
  H  H15  1  0.88744826  0.65226412  0.19368981  1
  H  H16  1  0.50233721  0.45037474  0.27849832  1
  H  H17  1  1.00098325  0.55282532  0.77944920  1
  H  H18  1  0.49845427  0.55040991  0.72167005  1
  H  H19  1  0.00011777  0.44799606  0.22031419  1
  H  H20  1  0.53019050  0.23252788  0.34658058  1
  H  H21  1  0.97453035  0.77139444  0.84714459  1
  H  H22  1  0.47023580  0.76812734  0.65302506  1
  H  H23  1  0.02623943  0.22922450  0.15291913  1
  H  H24  1  0.49864549  0.00221124  0.37704624  1
  H  H25  1  1.00394653  0.99880530  0.87759682  1
  H  H26  1  0.50205094  0.99820379  0.62211748  1
  H  H27  1  -0.00337125  0.00162948  0.12290683  1
  H  H28  1  0.33042420  0.90213059  0.45935395  1
  H  H29  1  0.16817682  0.10146538  0.96082379  1
  H  H30  1  0.67034647  0.09798127  0.53974891  1
  H  H31  1  0.83253229  0.89878260  0.03969917  1
  C  C32  1  0.19326781  0.44790578  0.51058146  1
  C  C33  1  0.30713166  0.55311175  0.01279455  1
  C  C34  1  0.80567213  0.55160151  0.48878505  1
  C  C35  1  0.69188901  0.44648523  0.98787645  1
  C  C36  1  0.23819900  0.56253333  0.44389220  1
  C  C37  1  0.26242651  0.43886746  0.94569864  1
  C  C38  1  0.76081353  0.43715862  0.55565688  1
  C  C39  1  0.73671494  0.56087521  0.05482618  1
  C  C40  1  0.34987122  0.56563496  0.35805208  1
  C  C41  1  0.15140960  0.43643216  0.85950788  1
  C  C42  1  0.64994333  0.43456429  0.64184364  1
  C  C43  1  0.84863110  0.56381787  0.14061194  1
  C  C44  1  0.41443538  0.45451488  0.34312192  1
  C  C45  1  0.08745665  0.54784415  0.84466100  1
  C  C46  1  0.58584493  0.54591328  0.65684120  1
  C  C47  1  0.91304136  0.45262150  0.15535334  1
  C  C48  1  0.36118715  0.34085519  0.41215862  1
  C  C49  1  0.14032134  0.66136785  0.91410652  1
  C  C50  1  0.63888071  0.65932024  0.58754586  1
  C  C51  1  0.85987377  0.33885623  0.08615178  1
  C  C52  1  0.42444791  0.22301617  0.40307080  1
  C  C53  1  0.07918316  0.78018147  0.90427990  1
  C  C54  1  0.57586622  0.77727586  0.59653846  1
  C  C55  1  0.92127515  0.22017855  0.09596344  1
  C  C56  1  0.43476456  -0.00198606  0.45477673  1
  C  C57  1  0.06692251  1.00378171  0.95571755  1
  C  C58  1  0.56589035  1.00217658  0.54440070  1
  C  C59  1  0.93365126  -0.00346731  0.04477700  1
  N  N60  1  0.24576692  0.33464755  0.49319545  1
  N  N61  1  0.25431655  0.66650705  0.99606642  1
  N  N62  1  0.75392986  0.66518094  0.50633806  1
  N  N63  1  0.74541888  0.33339404  0.00440545  1
  N  N64  1  0.35733704  0.11258804  0.45893038  1
  N  N65  1  0.14823441  0.89105127  0.95997877  1
  N  N66  1  0.64302911  0.88747132  0.54042496  1
  N  N67  1  0.85214866  0.10914696  0.04046557  1
  N  N68  1  0.03560613  0.91618860  0.57439295  1
  N  N69  1  0.47870961  0.08249237  0.07216184  1
  N  N70  1  0.96394819  0.08339636  0.42537735  1
  N  N71  1  0.52158405  0.91735246  0.92839046  1
  N  N72  1  0.09549510  0.83197104  0.61562796  1
  N  N73  1  0.41358200  0.16435404  0.11410288  1
  N  N74  1  0.90405708  0.16753859  0.38402263  1
  N  N75  1  0.58647858  0.83540303  0.88634856  1
  N  N76  1  0.15713311  0.75051875  0.65045494  1
  N  N77  1  0.34725234  0.24237445  0.14864602  1
  N  N78  1  0.84276144  0.24917498  0.34915637  1
  N  N79  1  0.65259899  0.75726243  0.85179036  1
  N  N80  1  0.95483041  0.19317108  0.65652431  1
  N  N81  1  0.53321696  0.80825274  0.14451315  1
  N  N82  1  0.04493612  0.80660686  0.34388413  1
  N  N83  1  0.46620634  0.19092188  0.85585047  1
  N  N84  1  0.87079426  0.15991164  0.73380797  1
  N  N85  1  0.62009890  0.84409749  0.22175475  1
  N  N86  1  0.12915658  0.84003502  0.26667576  1
  N  N87  1  0.38049403  0.15566534  0.77806044  1
  N  N88  1  0.78891877  0.13590522  0.81302380  1
  N  N89  1  0.71052914  0.87418455  0.29609962  1
  N  N90  1  0.21129055  0.86421896  0.18758469  1
  N  N91  1  0.29109744  0.12597521  0.70321739  1
