# generated using pymatgen
data_Mn3CoH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11921081
_cell_length_b   10.13523489
_cell_length_c   12.56196009
_cell_angle_alpha   90.03785048
_cell_angle_beta   89.98302172
_cell_angle_gamma   106.43319056
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3CoH28(C7N8)4
_chemical_formula_sum   'Mn3 Co1 H28 C28 N32'
_cell_volume   991.49743575
_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  0.16011732  0.13442806  0.55318682  1
  Co  Co1  1  0.34230596  0.86708952  0.05603347  1
  Mn  Mn2  1  0.84025587  0.86565538  0.44379793  1
  Mn  Mn3  1  0.65813144  0.13191596  0.94763481  1
  H  H4  1  0.11382359  0.44910251  0.57865076  1
  H  H5  1  0.38542106  0.54948317  0.07951284  1
  H  H6  1  0.88415964  0.54971278  0.42030064  1
  H  H7  1  0.61384715  0.44936077  0.92197457  1
  H  H8  1  0.18726371  0.64987617  0.45914468  1
  H  H9  1  0.31136046  0.35011955  0.96054934  1
  H  H10  1  0.81116910  0.34952439  0.53992588  1
  H  H11  1  0.68780554  0.65021134  0.04112908  1
  H  H12  1  0.38836874  0.65455033  0.30285551  1
  H  H13  1  0.11095872  0.34637716  0.80335865  1
  H  H14  1  0.61160077  0.34599832  0.69723761  1
  H  H15  1  0.89061679  0.65545974  0.19694336  1
  H  H16  1  0.50442137  0.45154611  0.27781404  1
  H  H17  1  0.99623079  0.55023062  0.77807323  1
  H  H18  1  0.49666199  0.54954625  0.72241776  1
  H  H19  1  0.00556745  0.45202765  0.22204422  1
  H  H20  1  0.52720653  0.23169421  0.34267487  1
  H  H21  1  0.97474587  0.76896349  0.84406887  1
  H  H22  1  0.47350639  0.76875399  0.65677304  1
  H  H23  1  0.02729231  0.23240134  0.15729105  1
  H  H24  1  0.50369502  0.00708821  0.37680224  1
  H  H25  1  0.99859499  0.99259143  0.87810000  1
  H  H26  1  0.49665387  0.99319101  0.62201310  1
  H  H27  1  0.00382118  0.00701738  0.12325445  1
  H  H28  1  0.33308898  0.90456381  0.45476908  1
  H  H29  1  0.16862648  0.09630769  0.95679390  1
  H  H30  1  0.66738795  0.09545645  0.54384259  1
  H  H31  1  0.83361252  0.90458826  0.04446200  1
  C  C32  1  0.19556999  0.44938424  0.50958634  1
  C  C33  1  0.30391806  0.55085197  0.01055740  1
  C  C34  1  0.80308076  0.54982305  0.48961959  1
  C  C35  1  0.69562387  0.44961922  0.99099542  1
  C  C36  1  0.24000693  0.56412863  0.44285026  1
  C  C37  1  0.25947542  0.43608724  0.94362594  1
  C  C38  1  0.75889129  0.43537234  0.55665894  1
  C  C39  1  0.74050966  0.56454600  0.05766723  1
  C  C40  1  0.35175083  0.56710798  0.35702813  1
  C  C41  1  0.14813946  0.43372213  0.85768112  1
  C  C42  1  0.64808962  0.43319899  0.64283200  1
  C  C43  1  0.85278866  0.56762962  0.14310941  1
  C  C44  1  0.41712480  0.45629765  0.34269156  1
  C  C45  1  0.08316274  0.54470093  0.84297005  1
  C  C46  1  0.58324017  0.54431780  0.65721541  1
  C  C47  1  0.91778947  0.45666903  0.15739732  1
  C  C48  1  0.36427220  0.34273969  0.41197313  1
  C  C49  1  0.13640728  0.65786136  0.91273501  1
  C  C50  1  0.63593193  0.65743425  0.58748100  1
  C  C51  1  0.86419341  0.34293069  0.08819033  1
  C  C52  1  0.42575040  0.22407252  0.40187568  1
  C  C53  1  0.07594461  0.77744508  0.90325768  1
  C  C54  1  0.57476786  0.77637560  0.59745645  1
  C  C55  1  0.92570449  0.22425113  0.09812329  1
  C  C56  1  0.43683052  0.00076779  0.45368199  1
  C  C57  1  0.06508154  1.00001201  0.95519285  1
  C  C58  1  0.56340194  0.99937540  0.54513495  1
  C  C59  1  0.93744831  0.00075884  0.04625799  1
  N  N60  1  0.24976725  0.33681210  0.49324146  1
  N  N61  1  0.24816249  0.66225452  0.99456252  1
  N  N62  1  0.74955446  0.66267950  0.50581295  1
  N  N63  1  0.74931694  0.33695740  0.00727918  1
  N  N64  1  0.36002821  0.11574642  0.46033170  1
  N  N65  1  0.14163013  0.88524990  0.96157211  1
  N  N66  1  0.64001751  0.88436500  0.53870039  1
  N  N67  1  0.86055886  0.11557466  0.04000143  1
  N  N68  1  0.03098740  0.91462389  0.57296779  1
  N  N69  1  0.47190459  0.08290047  0.07509769  1
  N  N70  1  0.96942768  0.08576224  0.42604969  1
  N  N71  1  0.52505646  0.91451172  0.92882283  1
  N  N72  1  0.09001426  0.82962944  0.61374641  1
  N  N73  1  0.40635765  0.16482403  0.11448109  1
  N  N74  1  0.90985104  0.17050724  0.38541842  1
  N  N75  1  0.58303569  0.82718931  0.89088790  1
  N  N76  1  0.15115494  0.74739383  0.64779131  1
  N  N77  1  0.34755778  0.24916094  0.14761199  1
  N  N78  1  0.84814583  0.25233130  0.35123178  1
  N  N79  1  0.64783645  0.74838897  0.85443609  1
  N  N80  1  0.97070715  0.20005305  0.65026403  1
  N  N81  1  0.52642458  0.79971624  0.14925682  1
  N  N82  1  0.03367357  0.79972901  0.34529096  1
  N  N83  1  0.47046457  0.19934629  0.85011403  1
  N  N84  1  0.87608607  0.15947102  0.72301757  1
  N  N85  1  0.62019766  0.84107850  0.22192625  1
  N  N86  1  0.12766214  0.83905313  0.27194859  1
  N  N87  1  0.37651779  0.15985098  0.77690753  1
  N  N88  1  0.77834843  0.11478576  0.79258553  1
  N  N89  1  0.72092426  0.88355298  0.29065437  1
  N  N90  1  0.22645777  0.88772591  0.20374396  1
  N  N91  1  0.27896160  0.11647626  0.70698159  1
