# generated using pymatgen
data_Mn2CrCoH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11811577
_cell_length_b   10.13656856
_cell_length_c   12.55665159
_cell_angle_alpha   90.03317383
_cell_angle_beta   89.98969093
_cell_angle_gamma   106.44498606
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CrCoH28(C7N8)4
_chemical_formula_sum   'Mn2 Cr1 Co1 H28 C28 N32'
_cell_volume   991.01502968
_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
  Co  Co0  1  0.15504925  0.12679297  0.55576909  1
  Cr  Cr1  1  0.34797773  0.87199787  0.05405395  1
  Mn  Mn2  1  0.84179440  0.86826407  0.44859581  1
  Mn  Mn3  1  0.65985814  0.13342444  0.94344470  1
  H  H4  1  0.11280377  0.44937714  0.58049801  1
  H  H5  1  0.38517382  0.54918867  0.08181612  1
  H  H6  1  0.88474537  0.55092425  0.41878867  1
  H  H7  1  0.61393583  0.44983395  0.92012725  1
  H  H8  1  0.18600176  0.64832116  0.46098996  1
  H  H9  1  0.31286144  0.35153199  0.96099544  1
  H  H10  1  0.81188798  0.35077582  0.53865398  1
  H  H11  1  0.68701545  0.64986233  0.04065957  1
  H  H12  1  0.38748627  0.65344973  0.30550363  1
  H  H13  1  0.11211642  0.34775158  0.80465910  1
  H  H14  1  0.61182902  0.34643478  0.69542472  1
  H  H15  1  0.88932841  0.65484647  0.19564053  1
  H  H16  1  0.50125078  0.44889770  0.27897649  1
  H  H17  1  1.00002116  0.55204747  0.77869277  1
  H  H18  1  0.49859258  0.55053776  0.72165618  1
  H  H19  1  0.00200741  0.45003554  0.22187083  1
  H  H20  1  0.52747662  0.23161645  0.34759979  1
  H  H21  1  0.97474437  0.77163020  0.84617700  1
  H  H22  1  0.47092203  0.76798514  0.65363080  1
  H  H23  1  0.02632203  0.23260033  0.15507751  1
  H  H24  1  0.49692383  0.00293380  0.37740392  1
  H  H25  1  1.00375424  0.99850254  0.87736405  1
  H  H26  1  0.50115349  0.99771164  0.62244808  1
  H  H27  1  -0.00042877  0.00370383  0.12235406  1
  H  H28  1  0.32915867  0.90159775  0.45982259  1
  H  H29  1  0.17079865  0.10068882  0.95921074  1
  H  H30  1  0.66849122  0.09808789  0.54017390  1
  H  H31  1  0.83310002  0.90311964  0.03989452  1
  C  C32  1  0.19354025  0.44776561  0.51131781  1
  C  C33  1  0.30502907  0.55146667  0.01233875  1
  C  C34  1  0.80599729  0.55171132  0.48908221  1
  C  C35  1  0.69344255  0.44926199  0.99007265  1
  C  C36  1  0.23779565  0.56238310  0.44441112  1
  C  C37  1  0.26096276  0.43755795  0.94486715  1
  C  C38  1  0.76098923  0.43710419  0.55580399  1
  C  C39  1  0.73837826  0.56367889  0.05715004  1
  C  C40  1  0.34930464  0.56504966  0.35859237  1
  C  C41  1  0.15022326  0.43542366  0.85858543  1
  C  C42  1  0.65017225  0.43455740  0.64201057  1
  C  C43  1  0.85013432  0.56623065  0.14279483  1
  C  C44  1  0.41405019  0.45399018  0.34379942  1
  C  C45  1  0.08621556  0.54692210  0.84404647  1
  C  C46  1  0.58617986  0.54599354  0.65691841  1
  C  C47  1  0.91396556  0.45464780  0.15745175  1
  C  C48  1  0.36095404  0.34076148  0.41361320  1
  C  C49  1  0.13851048  0.66007618  0.91400966  1
  C  C50  1  0.63942683  0.65956070  0.58775320  1
  C  C51  1  0.86002492  0.34126860  0.08808411  1
  C  C52  1  0.42279889  0.22154861  0.40465776  1
  C  C53  1  0.07809476  0.77936377  0.90415096  1
  C  C54  1  0.57614166  0.77749097  0.59669837  1
  C  C55  1  0.92276880  0.22302847  0.09700824  1
  C  C56  1  0.43297390  -0.00231291  0.45519905  1
  C  C57  1  0.06794476  1.00383232  0.95512328  1
  C  C58  1  0.56478431  1.00187287  0.54468995  1
  C  C59  1  0.93618606  -0.00028946  0.04450163  1
  N  N60  1  0.24859538  0.33620431  0.49520027  1
  N  N61  1  0.25120157  0.66443748  0.99658103  1
  N  N62  1  0.75475030  0.66545350  0.50677737  1
  N  N63  1  0.74514284  0.33580598  0.00706688  1
  N  N64  1  0.35513526  0.11185333  0.46036377  1
  N  N65  1  0.14685833  0.88974666  0.96038576  1
  N  N66  1  0.64250496  0.88738414  0.54021931  1
  N  N67  1  0.85770255  0.11375184  0.03956351  1
  N  N68  1  0.02785775  0.91803427  0.57671482  1
  N  N69  1  0.46405959  0.07835725  0.07643621  1
  N  N70  1  0.97631098  0.08337170  0.42699860  1
  N  N71  1  0.51666776  0.90860448  0.92887627  1
  N  N72  1  0.09660042  0.83774763  0.61547612  1
  N  N73  1  0.40315622  0.16310319  0.11657645  1
  N  N74  1  0.91670221  0.17047526  0.39017275  1
  N  N75  1  0.58184376  0.82662782  0.88836971  1
  N  N76  1  0.15962748  0.75593204  0.64843161  1
  N  N77  1  0.34444462  0.24705423  0.14952343  1
  N  N78  1  0.85040758  0.24915100  0.35525703  1
  N  N79  1  0.65164055  0.75101061  0.85283281  1
  N  N80  1  0.97050648  0.19651809  0.64829627  1
  N  N81  1  0.53261421  0.80637165  0.14624333  1
  N  N82  1  0.04497394  0.80841193  0.34608410  1
  N  N83  1  0.46559068  0.19602750  0.84475765  1
  N  N84  1  0.88169383  0.15558693  0.72318206  1
  N  N85  1  0.62129154  0.84531775  0.22223053  1
  N  N86  1  0.12792834  0.84001530  0.26803323  1
  N  N87  1  0.37433760  0.15951346  0.76973822  1
  N  N88  1  0.78612053  0.11666289  0.79498129  1
  N  N89  1  0.71429760  0.87913727  0.29514135  1
  N  N90  1  0.20859226  0.86048408  0.18833772  1
  N  N91  1  0.27970638  0.11744262  0.69845717  1
