# generated using pymatgen
data_Mn3CrH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11973469
_cell_length_b   10.13804587
_cell_length_c   12.56046241
_cell_angle_alpha   90.03966237
_cell_angle_beta   89.97705975
_cell_angle_gamma   106.44680077
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3CrH28(C7N8)4
_chemical_formula_sum   'Mn3 Cr1 H28 C28 N32'
_cell_volume   991.64861986
_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  0.15925759  0.13396961  0.55143059  1
  Cr  Cr1  1  0.34821634  0.87200036  0.05400932  1
  Mn  Mn2  1  0.84236616  0.86739232  0.44821560  1
  Mn  Mn3  1  0.66076270  0.13329779  0.94592696  1
  H  H4  1  0.11358183  0.44820069  0.58050550  1
  H  H5  1  0.38546821  0.54967300  0.08203063  1
  H  H6  1  0.88443777  0.55079632  0.41860961  1
  H  H7  1  0.61393964  0.44879145  0.92022576  1
  H  H8  1  0.18665417  0.64897313  0.46053379  1
  H  H9  1  0.31300264  0.35186101  0.96123953  1
  H  H10  1  0.81193973  0.35069007  0.53891876  1
  H  H11  1  0.68676791  0.64950952  0.04029533  1
  H  H12  1  0.38807033  0.65446544  0.30516308  1
  H  H13  1  0.11226119  0.34807536  0.80498989  1
  H  H14  1  0.61174396  0.34646282  0.69546773  1
  H  H15  1  0.88926976  0.65513430  0.19531478  1
  H  H16  1  0.50195459  0.45012660  0.27847624  1
  H  H17  1  1.00034765  0.55252903  0.77906605  1
  H  H18  1  0.49926586  0.55085953  0.72182901  1
  H  H19  1  0.00199590  0.45041293  0.22190614  1
  H  H20  1  0.52949388  0.23225511  0.34665106  1
  H  H21  1  0.97390896  0.77136864  0.84709407  1
  H  H22  1  0.47082314  0.76795811  0.65346282  1
  H  H23  1  0.02814978  0.23296983  0.15459849  1
  H  H24  1  0.49731312  0.00196358  0.37729898  1
  H  H25  1  1.00416550  0.99921943  0.87761155  1
  H  H26  1  0.50206254  0.99797850  0.62224158  1
  H  H27  1  -0.00094217  0.00244682  0.12271656  1
  H  H28  1  0.32947432  0.90230858  0.45970740  1
  H  H29  1  0.17049797  0.10071460  0.96015609  1
  H  H30  1  0.66968348  0.09753085  0.53954950  1
  H  H31  1  0.83273461  0.90278971  0.03965447  1
  C  C32  1  0.19330735  0.44831605  0.51057904  1
  C  C33  1  0.30538635  0.55185546  0.01254234  1
  C  C34  1  0.80561735  0.55139140  0.48888109  1
  C  C35  1  0.69342748  0.44873985  0.99021649  1
  C  C36  1  0.23822044  0.56292785  0.44387690  1
  C  C37  1  0.26108950  0.43787456  0.94516869  1
  C  C38  1  0.76084028  0.43693822  0.55574399  1
  C  C39  1  0.73823321  0.56343015  0.05696302  1
  C  C40  1  0.34982716  0.56588575  0.35803344  1
  C  C41  1  0.15024482  0.43568005  0.85896820  1
  C  C42  1  0.65019529  0.43449854  0.64203283  1
  C  C43  1  0.85013936  0.56642813  0.14258800  1
  C  C44  1  0.41445122  0.45479595  0.34317035  1
  C  C45  1  0.08624440  0.54716405  0.84449022  1
  C  C46  1  0.58614721  0.54594255  0.65682514  1
  C  C47  1  0.91423018  0.45504157  0.15737788  1
  C  C48  1  0.36136810  0.34123702  0.41231269  1
  C  C49  1  0.13874061  0.66036007  0.91431674  1
  C  C50  1  0.63888546  0.65920774  0.58743248  1
  C  C51  1  0.86057156  0.34133647  0.08828923  1
  C  C52  1  0.42430601  0.22315414  0.40342530  1
  C  C53  1  0.07811945  0.77950836  0.90447038  1
  C  C54  1  0.57573453  0.77724771  0.59640332  1
  C  C55  1  0.92364611  0.22325102  0.09719402  1
  C  C56  1  0.43377002  -0.00180890  0.45511123  1
  C  C57  1  0.06780157  1.00390548  0.95546037  1
  C  C58  1  0.56534584  1.00175644  0.54436979  1
  C  C59  1  0.93599889  -0.00081754  0.04483276  1
  N  N60  1  0.24619091  0.33527287  0.49320730  1
  N  N61  1  0.25169528  0.66486059  0.99670314  1
  N  N62  1  0.75399182  0.66502045  0.50636881  1
  N  N63  1  0.74543059  0.33546314  0.00753893  1
  N  N64  1  0.35711618  0.11335115  0.45994930  1
  N  N65  1  0.14694261  0.89001863  0.96049045  1
  N  N66  1  0.64232761  0.88682760  0.53965515  1
  N  N67  1  0.85789454  0.11345363  0.04033829  1
  N  N68  1  0.03542802  0.91693833  0.57493737  1
  N  N69  1  0.46468085  0.07802757  0.07813701  1
  N  N70  1  0.96568625  0.08347174  0.42451240  1
  N  N71  1  0.51692988  0.90887021  0.92890781  1
  N  N72  1  0.09571794  0.83267435  0.61571278  1
  N  N73  1  0.40253067  0.16251692  0.11746986  1
  N  N74  1  0.90494892  0.16757202  0.38393630  1
  N  N75  1  0.58200388  0.82685182  0.88839340  1
  N  N76  1  0.15627881  0.75015180  0.64972184  1
  N  N77  1  0.34324642  0.24642890  0.14973602  1
  N  N78  1  0.84344091  0.24962194  0.35007380  1
  N  N79  1  0.65171944  0.75125560  0.85280134  1
  N  N80  1  0.97053015  0.19776591  0.64954186  1
  N  N81  1  0.53293011  0.80667678  0.14566855  1
  N  N82  1  0.04242905  0.80725808  0.34568331  1
  N  N83  1  0.46902934  0.19707977  0.85148222  1
  N  N84  1  0.88033732  0.15772119  0.72428576  1
  N  N85  1  0.62123107  0.84511332  0.22190144  1
  N  N86  1  0.12644372  0.83924199  0.26805625  1
  N  N87  1  0.38029287  0.15895462  0.77574481  1
  N  N88  1  0.78462321  0.11582873  0.79533347  1
  N  N89  1  0.71260445  0.87729116  0.29559219  1
  N  N90  1  0.20804753  0.86075715  0.18875442  1
  N  N91  1  0.28674786  0.11970508  0.70340448  1
