# generated using pymatgen
data_MnCrH14(C7N8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11968525
_cell_length_b   10.13861275
_cell_length_c   12.55878614
_cell_angle_alpha   90.03426031
_cell_angle_beta   89.98826125
_cell_angle_gamma   106.45010869
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCrH14(C7N8)2
_chemical_formula_sum   'Mn2 Cr2 H28 C28 N32'
_cell_volume   991.54886391
_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
  Cr  Cr0  1  0.15193338  0.12803025  0.55281471  1
  Cr  Cr1  1  0.34814123  0.87181295  0.05317854  1
  Mn  Mn2  1  0.83978543  0.86817429  0.44656081  1
  Mn  Mn3  1  0.66050686  0.13168846  0.94681897  1
  H  H4  1  0.11278483  0.44907896  0.58200039  1
  H  H5  1  0.38554994  0.54993238  0.08239205  1
  H  H6  1  0.88458682  0.55064074  0.41867506  1
  H  H7  1  0.61374937  0.44868130  0.91998510  1
  H  H8  1  0.18491333  0.64699600  0.46136261  1
  H  H9  1  0.31315207  0.35215587  0.96151169  1
  H  H10  1  0.81245243  0.35064571  0.53899541  1
  H  H11  1  0.68637493  0.64908290  0.04010467  1
  H  H12  1  0.38639776  0.65188668  0.30591070  1
  H  H13  1  0.11241268  0.34781208  0.80580891  1
  H  H14  1  0.61194950  0.34604996  0.69491881  1
  H  H15  1  0.88910057  0.65484741  0.19496681  1
  H  H16  1  0.50011650  0.44790177  0.27968050  1
  H  H17  1  1.00033244  0.55261225  0.77933487  1
  H  H18  1  0.49976887  0.55089944  0.72193788  1
  H  H19  1  0.00200474  0.45043390  0.22163570  1
  H  H20  1  0.52799760  0.22917546  0.34791144  1
  H  H21  1  0.97276571  0.77130537  0.84786268  1
  H  H22  1  0.47120027  0.76768008  0.65364519  1
  H  H23  1  0.02921455  0.23291505  0.15400233  1
  H  H24  1  0.49574893  0.00058384  0.37692872  1
  H  H25  1  1.00539120  1.00013651  0.87754291  1
  H  H26  1  0.50102280  0.99770580  0.62219512  1
  H  H27  1  -0.00083986  0.00268724  0.12282145  1
  H  H28  1  0.32945059  0.89885581  0.45945171  1
  H  H29  1  0.17170947  0.10119402  0.96042308  1
  H  H30  1  0.66683259  0.09802283  0.53900275  1
  H  H31  1  0.83366845  0.90230938  0.03939724  1
  C  C32  1  0.19313241  0.44715448  0.51254691  1
  C  C33  1  0.30565414  0.55217041  0.01280551  1
  C  C34  1  0.80609814  0.55145372  0.48909157  1
  C  C35  1  0.69296985  0.44827014  0.99009819  1
  C  C36  1  0.23722744  0.56118155  0.44530204  1
  C  C37  1  0.26136453  0.43820902  0.94540272  1
  C  C38  1  0.76157951  0.43700367  0.55595794  1
  C  C39  1  0.73779767  0.56297943  0.05680305  1
  C  C40  1  0.34876426  0.56385598  0.35939682  1
  C  C41  1  0.15032653  0.43589026  0.85931386  1
  C  C42  1  0.65078085  0.43458218  0.64209688  1
  C  C43  1  0.84972703  0.56601618  0.14240336  1
  C  C44  1  0.41353102  0.45281212  0.34485617  1
  C  C45  1  0.08630455  0.54728489  0.84472044  1
  C  C46  1  0.58702319  0.54611154  0.65711422  1
  C  C47  1  0.91384098  0.45466072  0.15722765  1
  C  C48  1  0.36104183  0.33937936  0.41437877  1
  C  C49  1  0.13884308  0.66055183  0.91448912  1
  C  C50  1  0.64011106  0.65955124  0.58784127  1
  C  C51  1  0.86016799  0.34083859  0.08826252  1
  C  C52  1  0.42242422  0.22066750  0.40441834  1
  C  C53  1  0.07793681  0.77951040  0.90456215  1
  C  C54  1  0.57668647  0.77742506  0.59686059  1
  C  C55  1  0.92369100  0.22302546  0.09722991  1
  C  C56  1  0.43200797  -0.00423076  0.45479826  1
  C  C57  1  0.06873099  1.00454380  0.95548634  1
  C  C58  1  0.56395627  1.00139187  0.54421879  1
  C  C59  1  0.93648867  -0.00104119  0.04477005  1
  N  N60  1  0.24743051  0.33440117  0.49657498  1
  N  N61  1  0.25202293  0.66521179  0.99683815  1
  N  N62  1  0.75506276  0.66515779  0.50675562  1
  N  N63  1  0.74467842  0.33486222  0.00746749  1
  N  N64  1  0.35270567  0.10945914  0.45939133  1
  N  N65  1  0.14749130  0.89054458  0.95985980  1
  N  N66  1  0.64261255  0.88750931  0.54039955  1
  N  N67  1  0.85778137  0.11278650  0.04085764  1
  N  N68  1  0.03743577  0.92265309  0.57824931  1
  N  N69  1  0.46247103  0.07729704  0.07844649  1
  N  N70  1  0.98360708  0.09068190  0.42819072  1
  N  N71  1  0.51706572  0.90913724  0.92873610  1
  N  N72  1  0.09862735  0.83789199  0.61781617  1
  N  N73  1  0.40107702  0.16201504  0.11798261  1
  N  N74  1  0.91783967  0.17238533  0.38791149  1
  N  N75  1  0.58214019  0.82701885  0.88832300  1
  N  N76  1  0.15696983  0.75367717  0.65043762  1
  N  N77  1  0.34272415  0.24626285  0.15068126  1
  N  N78  1  0.84708732  0.24702571  0.35209424  1
  N  N79  1  0.65238020  0.75205918  0.85236029  1
  N  N80  1  0.96498441  0.19162173  0.64549483  1
  N  N81  1  0.53391207  0.80735175  0.14610228  1
  N  N82  1  0.04640000  0.80878467  0.34626082  1
  N  N83  1  0.45412934  0.19117921  0.84587956  1
  N  N84  1  0.87835185  0.15324536  0.72228878  1
  N  N85  1  0.62193222  0.84623354  0.22222028  1
  N  N86  1  0.12743721  0.83801417  0.26727385  1
  N  N87  1  0.37314271  0.16208476  0.76687450  1
  N  N88  1  0.78723870  0.11979446  0.79608454  1
  N  N89  1  0.71437767  0.88001139  0.29541982  1
  N  N90  1  0.20776827  0.85859341  0.18746513  1
  N  N91  1  0.29273730  0.14187982  0.68704228  1
