# generated using pymatgen
data_Mn3CrH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11971747
_cell_length_b   10.13801241
_cell_length_c   12.56047725
_cell_angle_alpha   90.03956256
_cell_angle_beta   89.97746193
_cell_angle_gamma   106.44653591
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3CrH28(C7N8)4
_chemical_formula_sum   'Mn3 Cr1 H28 C28 N32'
_cell_volume   991.64577144
_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  0.15770458  0.13246780  0.55143639  1
  Mn  Mn1  1  0.33902918  0.86646860  0.05462657  1
  Mn  Mn2  1  0.84067916  0.86550293  0.44831040  1
  Cr  Cr3  1  0.65203124  0.12794620  0.94635707  1
  H  H4  1  0.11370535  0.44827081  0.58044857  1
  H  H5  1  0.38427274  0.55038873  0.08073573  1
  H  H6  1  0.88455330  0.55081360  0.41859280  1
  H  H7  1  0.61287116  0.44957600  0.91897892  1
  H  H8  1  0.18648928  0.64874235  0.46043165  1
  H  H9  1  0.31173605  0.34998233  0.96039337  1
  H  H10  1  0.81174490  0.35040067  0.53886017  1
  H  H11  1  0.68555990  0.64767079  0.03952549  1
  H  H12  1  0.38805342  0.65383634  0.30444193  1
  H  H13  1  0.11112353  0.34533357  0.80447615  1
  H  H14  1  0.61160800  0.34567815  0.69479157  1
  H  H15  1  0.88822287  0.65246411  0.19492766  1
  H  H16  1  0.50167620  0.44996100  0.27839352  1
  H  H17  1  0.99909344  0.55040481  0.77779113  1
  H  H18  1  0.49892547  0.55064891  0.72180228  1
  H  H19  1  0.00086352  0.44840470  0.22072969  1
  H  H20  1  0.52942580  0.23266872  0.34610658  1
  H  H21  1  0.97249278  0.76755622  0.84544240  1
  H  H22  1  0.47099648  0.76840965  0.65313769  1
  H  H23  1  0.02679305  0.22926707  0.15307499  1
  H  H24  1  0.49891339  0.00265538  0.37691694  1
  H  H25  1  1.00132689  0.99794306  0.87783109  1
  H  H26  1  0.50301497  0.99829485  0.62182259  1
  H  H27  1  -0.00328756  0.00146037  0.12292787  1
  H  H28  1  0.33129269  0.90255038  0.45936844  1
  H  H29  1  0.16795404  0.09741934  0.96083845  1
  H  H30  1  0.67122558  0.09776067  0.53946197  1
  H  H31  1  0.83037130  0.89959720  0.04055510  1
  C  C32  1  0.19331893  0.44814345  0.51047638  1
  C  C33  1  0.30547521  0.55084578  0.01048004  1
  C  C34  1  0.80552681  0.55110632  0.48879669  1
  C  C35  1  0.69367951  0.44780211  0.98818102  1
  C  C36  1  0.23818390  0.56276168  0.44377655  1
  C  C37  1  0.26080749  0.43630719  0.94356530  1
  C  C38  1  0.76072688  0.43668440  0.55567970  1
  C  C39  1  0.73814826  0.56195810  0.05537837  1
  C  C40  1  0.34959112  0.56570831  0.35780837  1
  C  C41  1  0.14989829  0.43381189  0.85748472  1
  C  C42  1  0.64983496  0.43417506  0.64183064  1
  C  C43  1  0.84991570  0.56465402  0.14116989  1
  C  C44  1  0.41415209  0.45450766  0.34313754  1
  C  C45  1  0.08623200  0.54540198  0.84259449  1
  C  C46  1  0.58576894  0.54553650  0.65683193  1
  C  C47  1  0.91435989  0.45338265  0.15554696  1
  C  C48  1  0.36115943  0.34097464  0.41228452  1
  C  C49  1  0.13950171  0.65884167  0.91196885  1
  C  C50  1  0.63856723  0.65886136  0.58744420  1
  C  C51  1  0.86152134  0.33993592  0.08596727  1
  C  C52  1  0.42450101  0.22305154  0.40319587  1
  C  C53  1  0.07666806  0.77704643  0.90305171  1
  C  C54  1  0.57589744  0.77706073  0.59624778  1
  C  C55  1  0.92236379  0.22091789  0.09580708  1
  C  C56  1  0.43532386  -0.00145961  0.45473393  1
  C  C57  1  0.06452678  1.00110696  0.95566347  1
  C  C58  1  0.56673466  1.00197434  0.54407264  1
  C  C59  1  0.93289609  -0.00349773  0.04511387  1
  N  N60  1  0.24570376  0.33481516  0.49319966  1
  N  N61  1  0.25411308  0.66439564  0.99298324  1
  N  N62  1  0.75332710  0.66444437  0.50636039  1
  N  N63  1  0.74800035  0.33506437  0.00383642  1
  N  N64  1  0.35795406  0.11325358  0.45972406  1
  N  N65  1  0.14238818  0.88668646  0.96009481  1
  N  N66  1  0.64307558  0.88663272  0.53946688  1
  N  N67  1  0.85348690  0.11024288  0.03994904  1
  N  N68  1  0.03404775  0.91670904  0.57567045  1
  N  N69  1  0.48326447  0.09097588  0.07174956  1
  N  N70  1  0.96440236  0.08271925  0.42487989  1
  N  N71  1  0.53588766  0.92182289  0.92268778  1
  N  N72  1  0.09432641  0.83194535  0.61562627  1
  N  N73  1  0.41799801  0.17297983  0.11212952  1
  N  N74  1  0.90406169  0.16692237  0.38404149  1
  N  N75  1  0.59726415  0.83704004  0.88308654  1
  N  N76  1  0.15611365  0.74989803  0.64919499  1
  N  N77  1  0.34811268  0.24859007  0.14756934  1
  N  N78  1  0.84359146  0.24945532  0.34994653  1
  N  N79  1  0.65604858  0.75292760  0.85055999  1
  N  N80  1  0.95801283  0.19253053  0.65473610  1
  N  N81  1  0.53038029  0.80200249  0.14891253  1
  N  N82  1  0.02971872  0.80162996  0.35073435  1
  N  N83  1  0.46641743  0.19249347  0.85496426  1
  N  N84  1  0.87345821  0.16016201  0.73212767  1
  N  N85  1  0.62035297  0.84043611  0.22411719  1
  N  N86  1  0.11991838  0.84201200  0.27604610  1
  N  N87  1  0.37943592  0.15454199  0.77810951  1
  N  N88  1  0.79208045  0.13907236  0.81155888  1
  N  N89  1  0.71572745  0.88159630  0.29537497  1
  N  N90  1  0.21588827  0.88445809  0.20520215  1
  N  N91  1  0.28970402  0.12341351  0.70354731  1
