# generated using pymatgen
data_Mn3CrH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11969937
_cell_length_b   10.13801551
_cell_length_c   12.56044712
_cell_angle_alpha   90.02882638
_cell_angle_beta   89.99850978
_cell_angle_gamma   106.44674846
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3CrH28(C7N8)4
_chemical_formula_sum   'Mn3 Cr1 H28 C28 N32'
_cell_volume   991.64052434
_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  0.16057420  0.13311807  0.55406539  1
  Mn  Mn1  1  0.34297779  0.86732474  0.05198819  1
  Cr  Cr2  1  0.84861547  0.87191784  0.44634518  1
  Mn  Mn3  1  0.65948345  0.13445740  0.94862506  1
  H  H4  1  0.11385564  0.44853857  0.58025505  1
  H  H5  1  0.38441702  0.55057655  0.08099688  1
  H  H6  1  0.88548333  0.54974427  0.41755548  1
  H  H7  1  0.61373858  0.44853728  0.91995549  1
  H  H8  1  0.18620313  0.64911892  0.46017141  1
  H  H9  1  0.31153712  0.35035923  0.96060351  1
  H  H10  1  0.81335524  0.35210357  0.53833272  1
  H  H11  1  0.68715854  0.64939259  0.04002154  1
  H  H12  1  0.38796506  0.65449434  0.30470926  1
  H  H13  1  0.11091514  0.34604063  0.80430404  1
  H  H14  1  0.61308842  0.34851203  0.69483654  1
  H  H15  1  0.88951199  0.65517856  0.19489295  1
  H  H16  1  0.50122898  0.45003033  0.27811567  1
  H  H17  1  0.99880516  0.55059044  0.77810013  1
  H  H18  1  0.50075198  0.55272280  0.72080630  1
  H  H19  1  0.00280873  0.45056944  0.22152662  1
  H  H20  1  0.52829458  0.23294833  0.34561482  1
  H  H21  1  0.97149981  0.76776528  0.84609623  1
  H  H22  1  0.47352938  0.77140978  0.65254436  1
  H  H23  1  0.02926059  0.23241809  0.15366140  1
  H  H24  1  0.49925082  0.00249383  0.37714740  1
  H  H25  1  1.00232514  0.99814900  0.87769536  1
  H  H26  1  0.50382809  0.99904758  0.62223024  1
  H  H27  1  -0.00274290  0.00200200  0.12258359  1
  H  H28  1  0.33296483  0.90256604  0.46002405  1
  H  H29  1  0.16997928  0.09734916  0.96051503  1
  H  H30  1  0.67031625  0.10075729  0.53989409  1
  H  H31  1  0.82937234  0.90256446  0.04001343  1
  C  C32  1  0.19316442  0.44845844  0.51016003  1
  C  C33  1  0.30551562  0.55116647  0.01078256  1
  C  C34  1  0.80559308  0.55204337  0.48714016  1
  C  C35  1  0.69356439  0.44867455  0.98981812  1
  C  C36  1  0.23767115  0.56304188  0.44339772  1
  C  C37  1  0.26046973  0.43663025  0.94389351  1
  C  C38  1  0.76145850  0.43813279  0.55449095  1
  C  C39  1  0.73878801  0.56336925  0.05651655  1
  C  C40  1  0.34927117  0.56596091  0.35758628  1
  C  C41  1  0.14964247  0.43415024  0.85772411  1
  C  C42  1  0.65078049  0.43599651  0.64079793  1
  C  C43  1  0.85074298  0.56642085  0.14216344  1
  C  C44  1  0.41360793  0.45468578  0.34275221  1
  C  C45  1  0.08582792  0.54570480  0.84300645  1
  C  C46  1  0.58657599  0.54738894  0.65530135  1
  C  C47  1  0.91509928  0.45520113  0.15696720  1
  C  C48  1  0.36032302  0.34110031  0.41188643  1
  C  C49  1  0.13897653  0.65906263  0.91238606  1
  C  C50  1  0.63885324  0.66050915  0.58549020  1
  C  C51  1  0.86156984  0.34149627  0.08790834  1
  C  C52  1  0.42359076  0.22310566  0.40290793  1
  C  C53  1  0.07604657  0.77719238  0.90341816  1
  C  C54  1  0.57801868  0.77956121  0.59533726  1
  C  C55  1  0.92435364  0.22334590  0.09671459  1
  C  C56  1  0.43605966  -0.00092557  0.45501347  1
  C  C57  1  0.06549297  1.00167031  0.95556163  1
  C  C58  1  0.56771397  1.00388053  0.54443783  1
  C  C59  1  0.93382508  -0.00165491  0.04476412  1
  N  N60  1  0.24523230  0.33520814  0.49269993  1
  N  N61  1  0.25402725  0.66485794  0.99343386  1
  N  N62  1  0.75203420  0.66510370  0.50316294  1
  N  N63  1  0.74626471  0.33554079  0.00712235  1
  N  N64  1  0.35773373  0.11323177  0.45957418  1
  N  N65  1  0.14235702  0.88665789  0.96043542  1
  N  N66  1  0.64698923  0.89004724  0.53937985  1
  N  N67  1  0.85734564  0.11361156  0.03999033  1
  N  N68  1  0.01649529  0.90905866  0.57170102  1
  N  N69  1  0.46568178  0.08332897  0.07588748  1
  N  N70  1  0.96414318  0.07762889  0.42187326  1
  N  N71  1  0.53608122  0.91695170  0.92541319  1
  N  N72  1  0.08172625  0.82706011  0.61201965  1
  N  N73  1  0.40512701  0.16794406  0.11590154  1
  N  N74  1  0.90255647  0.16228631  0.38242042  1
  N  N75  1  0.59592124  0.83244004  0.88452166  1
  N  N76  1  0.15172173  0.75157498  0.64739828  1
  N  N77  1  0.34360585  0.25015269  0.14956559  1
  N  N78  1  0.84328445  0.24614579  0.35009426  1
  N  N79  1  0.65623890  0.74982775  0.85030516  1
  N  N80  1  0.96867961  0.19675759  0.64858823  1
  N  N81  1  0.54012968  0.80655257  0.15464909  1
  N  N82  1  0.03411218  0.80727763  0.35499668  1
  N  N83  1  0.47100373  0.19792176  0.85058878  1
  N  N84  1  0.87978073  0.15873656  0.72427559  1
  N  N85  1  0.62570616  0.83902188  0.23163821  1
  N  N86  1  0.12130617  0.84566549  0.27831005  1
  N  N87  1  0.38084466  0.15806625  0.77577998  1
  N  N88  1  0.78612426  0.11813533  0.79640549  1
  N  N89  1  0.70847912  0.86056684  0.31050750  1
  N  N90  1  0.21141771  0.87770265  0.20404929  1
  N  N91  1  0.28490524  0.11678427  0.70477154  1
