# generated using pymatgen
data_Mn3CrH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11971664
_cell_length_b   10.13799977
_cell_length_c   12.56043293
_cell_angle_alpha   90.02895619
_cell_angle_beta   89.99842596
_cell_angle_gamma   106.44679860
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3CrH28(C7N8)4
_chemical_formula_sum   'Mn3 Cr1 H28 C28 N32'
_cell_volume   991.63971666
_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  0.15195703  0.12788262  0.55373105  1
  Mn  Mn1  1  0.34059018  0.86538499  0.05180347  1
  Mn  Mn2  1  0.83947814  0.86661195  0.44546354  1
  Mn  Mn3  1  0.65765431  0.13248474  0.94858542  1
  H  H4  1  0.11277684  0.44932034  0.58154532  1
  H  H5  1  0.38448386  0.55066918  0.08102504  1
  H  H6  1  0.88431003  0.55053332  0.41888377  1
  H  H7  1  0.61382749  0.44861390  0.92004418  1
  H  H8  1  0.18501529  0.64728821  0.46098766  1
  H  H9  1  0.31135132  0.35012088  0.96069187  1
  H  H10  1  0.81209554  0.35026150  0.53921258  1
  H  H11  1  0.68697028  0.64914745  0.04017828  1
  H  H12  1  0.38659728  0.65170216  0.30509083  1
  H  H13  1  0.11088257  0.34528447  0.80498227  1
  H  H14  1  0.61194363  0.34581590  0.69538676  1
  H  H15  1  0.88951777  0.65451400  0.19562485  1
  H  H16  1  0.50011023  0.44805563  0.27935094  1
  H  H17  1  0.99840661  0.55030858  0.77812102  1
  H  H18  1  0.49947270  0.55069138  0.72207160  1
  H  H19  1  0.00258969  0.45044129  0.22157808  1
  H  H20  1  0.52685098  0.22919133  0.34712872  1
  H  H21  1  0.97142777  0.76815564  0.84643134  1
  H  H22  1  0.47215122  0.76756678  0.65417944  1
  H  H23  1  0.02928702  0.23277074  0.15411795  1
  H  H24  1  0.49723896  0.00177222  0.37694447  1
  H  H25  1  1.00328273  0.99838692  0.87807047  1
  H  H26  1  0.50099933  0.99787481  0.62203827  1
  H  H27  1  -0.00138958  0.00257114  0.12297556  1
  H  H28  1  0.33074623  0.89934274  0.45890996  1
  H  H29  1  0.17140101  0.09767816  0.96062650  1
  H  H30  1  0.66775815  0.09749537  0.53928745  1
  H  H31  1  0.83088399  0.90287411  0.04033183  1
  C  C32  1  0.19336026  0.44747067  0.51222464  1
  C  C33  1  0.30541560  0.55094214  0.01086246  1
  C  C34  1  0.80558073  0.55100927  0.48918697  1
  C  C35  1  0.69357119  0.44847055  0.98992819  1
  C  C36  1  0.23754295  0.56153794  0.44502125  1
  C  C37  1  0.26036893  0.43642365  0.94397816  1
  C  C38  1  0.76112591  0.43657453  0.55610966  1
  C  C39  1  0.73875947  0.56319387  0.05662988  1
  C  C40  1  0.34897714  0.56413858  0.35905030  1
  C  C41  1  0.14934721  0.43386361  0.85791355  1
  C  C42  1  0.65040494  0.43416573  0.64230419  1
  C  C43  1  0.85052467  0.56622058  0.14238658  1
  C  C44  1  0.41367705  0.45299460  0.34461668  1
  C  C45  1  0.08542288  0.54528596  0.84298045  1
  C  C46  1  0.58653837  0.54566728  0.65720586  1
  C  C47  1  0.91482043  0.45489469  0.15698234  1
  C  C48  1  0.36111694  0.33962350  0.41419006  1
  C  C49  1  0.13856494  0.65872481  0.91233531  1
  C  C50  1  0.63956986  0.65899098  0.58780159  1
  C  C51  1  0.86137101  0.34121772  0.08789582  1
  C  C52  1  0.42215337  0.22071358  0.40424501  1
  C  C53  1  0.07604678  0.77700026  0.90353221  1
  C  C54  1  0.57657702  0.77711608  0.59673610  1
  C  C55  1  0.92453786  0.22321251  0.09690778  1
  C  C56  1  0.43305868  -0.00357733  0.45467957  1
  C  C57  1  0.06682211  1.00196310  0.95585132  1
  C  C58  1  0.56443700  1.00110413  0.54426374  1
  C  C59  1  0.93522726  -0.00134187  0.04512526  1
  N  N60  1  0.24766218  0.33472761  0.49640732  1
  N  N61  1  0.25335665  0.66433814  0.99336772  1
  N  N62  1  0.75419163  0.66454885  0.50676614  1
  N  N63  1  0.74580593  0.33507099  0.00707188  1
  N  N64  1  0.35331509  0.10996167  0.45995218  1
  N  N65  1  0.14306349  0.88657348  0.96043461  1
  N  N66  1  0.64244090  0.88676719  0.53981577  1
  N  N67  1  0.85808281  0.11349435  0.04018297  1
  N  N68  1  0.03535674  0.92212840  0.57795302  1
  N  N69  1  0.46437207  0.08287907  0.07510732  1
  N  N70  1  0.98337590  0.09073845  0.42830665  1
  N  N71  1  0.53458574  0.91645602  0.92483586  1
  N  N72  1  0.09683851  0.83734170  0.61731368  1
  N  N73  1  0.40401805  0.16716765  0.11588517  1
  N  N74  1  0.91806434  0.17259832  0.38785241  1
  N  N75  1  0.59470623  0.83166683  0.88466195  1
  N  N76  1  0.15617644  0.75338472  0.64938583  1
  N  N77  1  0.34362523  0.24984207  0.14990552  1
  N  N78  1  0.84805794  0.24800835  0.35232753  1
  N  N79  1  0.65622564  0.74960205  0.85072203  1
  N  N80  1  0.96607979  0.19238627  0.64520559  1
  N  N81  1  0.52865367  0.80129979  0.14991712  1
  N  N82  1  0.03163961  0.80216916  0.35175963  1
  N  N83  1  0.45853541  0.19274643  0.84518383  1
  N  N84  1  0.87888988  0.15402111  0.72188406  1
  N  N85  1  0.61999186  0.84177605  0.22411825  1
  N  N86  1  0.12037025  0.84122760  0.27613576  1
  N  N87  1  0.37384998  0.16057423  0.76782193  1
  N  N88  1  0.78903014  0.12255994  0.79634821  1
  N  N89  1  0.71731452  0.88381918  0.29437337  1
  N  N90  1  0.21442118  0.88210939  0.20422097  1
  N  N91  1  0.29232000  0.13961764  0.68844314  1
