# generated using pymatgen
data_Mn2CrNiH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11782199
_cell_length_b   10.13529909
_cell_length_c   12.55687493
_cell_angle_alpha   90.03514729
_cell_angle_beta   89.99224106
_cell_angle_gamma   106.44648118
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CrNiH28(C7N8)4
_chemical_formula_sum   'Mn2 Cr1 Ni1 H28 C28 N32'
_cell_volume   990.86503010
_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
  Cr  Cr0  1  0.15194389  0.12766443  0.55617017  1
  Mn  Mn1  1  0.34251218  0.86754901  0.05125281  1
  Mn  Mn2  1  0.83983833  0.86697862  0.44575351  1
  Ni  Ni3  1  0.65337097  0.12694514  0.95266512  1
  H  H4  1  0.11259863  0.45014759  0.58154042  1
  H  H5  1  0.38468257  0.55050403  0.08060961  1
  H  H6  1  0.88383092  0.55002933  0.41913873  1
  H  H7  1  0.61251008  0.44752393  0.91968314  1
  H  H8  1  0.18509670  0.64779246  0.46064522  1
  H  H9  1  0.31116679  0.34986292  0.96047095  1
  H  H10  1  0.81193350  0.34994281  0.53961855  1
  H  H11  1  0.68610379  0.64712384  0.03861318  1
  H  H12  1  0.38691641  0.65172827  0.30485277  1
  H  H13  1  0.10948055  0.34479405  0.80520676  1
  H  H14  1  0.61244368  0.34575859  0.69622667  1
  H  H15  1  0.88827086  0.65310557  0.19443474  1
  H  H16  1  0.49954609  0.44735294  0.27929195  1
  H  H17  1  0.99729103  0.54986711  0.77855564  1
  H  H18  1  0.49890911  0.55023059  0.72243716  1
  H  H19  1  0.00188127  0.44869160  0.22054919  1
  H  H20  1  0.52476554  0.22872600  0.34670741  1
  H  H21  1  0.97146379  0.76787666  0.84627323  1
  H  H22  1  0.47326169  0.76805388  0.65536238  1
  H  H23  1  0.02863852  0.23186274  0.15307058  1
  H  H24  1  0.49793816  0.00260367  0.37755457  1
  H  H25  1  1.00159429  0.99830192  0.87757155  1
  H  H26  1  0.50081483  0.99746790  0.62268778  1
  H  H27  1  -0.00218466  0.00270351  0.12247808  1
  H  H28  1  0.33113720  0.89971233  0.45891638  1
  H  H29  1  0.16945993  0.09804370  0.95979599  1
  H  H30  1  0.66803288  0.09735150  0.54049965  1
  H  H31  1  0.82999270  0.90159039  0.03969238  1
  C  C32  1  0.19365652  0.44821709  0.51243097  1
  C  C33  1  0.30589643  0.55109791  0.01034710  1
  C  C34  1  0.80510807  0.55061505  0.48945597  1
  C  C35  1  0.69315460  0.44586044  0.98889417  1
  C  C36  1  0.23764172  0.56199305  0.44486729  1
  C  C37  1  0.26039663  0.43633823  0.94369181  1
  C  C38  1  0.76086721  0.43623153  0.55651559  1
  C  C39  1  0.73806537  0.56123428  0.05529344  1
  C  C40  1  0.34898641  0.56421389  0.35887300  1
  C  C41  1  0.14892901  0.43365109  0.85783568  1
  C  C42  1  0.65034589  0.43394174  0.64283962  1
  C  C43  1  0.84977094  0.56477716  0.14112687  1
  C  C44  1  0.41325365  0.45279002  0.34454377  1
  C  C45  1  0.08519955  0.54521995  0.84303482  1
  C  C46  1  0.58638847  0.54543598  0.65772081  1
  C  C47  1  0.91447621  0.45372029  0.15583411  1
  C  C48  1  0.36071238  0.33976976  0.41452368  1
  C  C49  1  0.13930569  0.65908718  0.91200784  1
  C  C50  1  0.63938727  0.65873074  0.58822555  1
  C  C51  1  0.86119715  0.33992205  0.08651126  1
  C  C52  1  0.42136651  0.22058065  0.40468534  1
  C  C53  1  0.07647957  0.77731389  0.90328372  1
  C  C54  1  0.57673218  0.77703766  0.59731697  1
  C  C55  1  0.92394666  0.22139900  0.09602096  1
  C  C56  1  0.43340865  -0.00307324  0.45523894  1
  C  C57  1  0.06541371  1.00195018  0.95522942  1
  C  C58  1  0.56449304  1.00097808  0.54494364  1
  C  C59  1  0.93366553  -0.00242210  0.04472458  1
  N  N60  1  0.24848100  0.33565772  0.49721516  1
  N  N61  1  0.25494996  0.66499776  0.99263621  1
  N  N62  1  0.75372362  0.66417118  0.50696801  1
  N  N63  1  0.74674210  0.33345779  0.00547159  1
  N  N64  1  0.35346949  0.11033712  0.46101364  1
  N  N65  1  0.14311028  0.88720615  0.95996220  1
  N  N66  1  0.64206261  0.88641567  0.54000276  1
  N  N67  1  0.85534144  0.11158750  0.04074060  1
  N  N68  1  0.03437812  0.92147710  0.57819690  1
  N  N69  1  0.46899288  0.08282683  0.07735018  1
  N  N70  1  0.98329806  0.09159729  0.43092398  1
  N  N71  1  0.53408472  0.92305293  0.92249847  1
  N  N72  1  0.09662218  0.83697939  0.61734572  1
  N  N73  1  0.41027191  0.17057307  0.11368939  1
  N  N74  1  0.91860602  0.17281572  0.38897675  1
  N  N75  1  0.59881931  0.83956280  0.88465878  1
  N  N76  1  0.15528207  0.75256894  0.64930136  1
  N  N77  1  0.34696286  0.25216948  0.14672157  1
  N  N78  1  0.84883782  0.24754111  0.35206945  1
  N  N79  1  0.65705726  0.75425185  0.85296920  1
  N  N80  1  0.97040028  0.19252376  0.64737982  1
  N  N81  1  0.53068414  0.80280705  0.14896251  1
  N  N82  1  0.03214616  0.80286133  0.35097493  1
  N  N83  1  0.45437738  0.19590315  0.84597628  1
  N  N84  1  0.88044750  0.15443693  0.72351898  1
  N  N85  1  0.62076124  0.84208911  0.22389702  1
  N  N86  1  0.12152214  0.84149692  0.27554614  1
  N  N87  1  0.37321014  0.16058696  0.76805798  1
  N  N88  1  0.78615082  0.12091699  0.79541920  1
  N  N89  1  0.71717857  0.88320949  0.29475167  1
  N  N90  1  0.21652506  0.88315817  0.20416344  1
  N  N91  1  0.29202261  0.13628043  0.68830976  1
