# generated using pymatgen
data_Mn2CrCoH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11771545
_cell_length_b   10.13600527
_cell_length_c   12.55660608
_cell_angle_alpha   90.03338994
_cell_angle_beta   89.98186368
_cell_angle_gamma   106.44414458
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CrCoH28(C7N8)4
_chemical_formula_sum   'Mn2 Cr1 Co1 H28 C28 N32'
_cell_volume   990.91178221
_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  0.15894670  0.13313055  0.55122521  1
  Cr  Cr1  1  0.34729465  0.87142665  0.05674202  1
  Co  Co2  1  0.85279570  0.87624418  0.45013509  1
  Mn  Mn3  1  0.66047929  0.13347827  0.94622693  1
  H  H4  1  0.11337143  0.44820246  0.58015813  1
  H  H5  1  0.38564004  0.54892009  0.08204410  1
  H  H6  1  0.88587857  0.55030339  0.41847217  1
  H  H7  1  0.61427829  0.44923816  0.92044305  1
  H  H8  1  0.18668912  0.64908209  0.46031580  1
  H  H9  1  0.31288395  0.35135506  0.96091546  1
  H  H10  1  0.81262201  0.35159591  0.53802852  1
  H  H11  1  0.68680686  0.64980072  0.04078022  1
  H  H12  1  0.38856350  0.65452328  0.30499478  1
  H  H13  1  0.11204639  0.34804981  0.80473342  1
  H  H14  1  0.61254920  0.34765320  0.69485055  1
  H  H15  1  0.88931056  0.65539969  0.19576472  1
  H  H16  1  0.50262652  0.45036930  0.27863224  1
  H  H17  1  1.00074442  0.55298912  0.77902181  1
  H  H18  1  0.50001516  0.55253581  0.72088070  1
  H  H19  1  0.00241775  0.45079705  0.22221532  1
  H  H20  1  0.52941565  0.23251480  0.34637710  1
  H  H21  1  0.97580275  0.77196261  0.84673315  1
  H  H22  1  0.47322018  0.76932387  0.65185206  1
  H  H23  1  0.02736572  0.23262586  0.15555656  1
  H  H24  1  0.49857196  0.00230048  0.37669286  1
  H  H25  1  1.00383606  0.99839226  0.87819381  1
  H  H26  1  0.50359653  0.99747587  0.62176771  1
  H  H27  1  -0.00095486  0.00284796  0.12341957  1
  H  H28  1  0.33154769  0.90201852  0.45915657  1
  H  H29  1  0.17038910  0.10038222  0.96024139  1
  H  H30  1  0.67050488  0.09889504  0.53912727  1
  H  H31  1  0.83251461  0.90296807  0.04062182  1
  C  C32  1  0.19288320  0.44815377  0.51013381  1
  C  C33  1  0.30522483  0.55118045  0.01270001  1
  C  C34  1  0.80626773  0.55259244  0.48812868  1
  C  C35  1  0.69377618  0.44911641  0.99044821  1
  C  C36  1  0.23814156  0.56291959  0.44358770  1
  C  C37  1  0.26104101  0.43746606  0.94500020  1
  C  C38  1  0.76150074  0.43784877  0.55493543  1
  C  C39  1  0.73853570  0.56378659  0.05726528  1
  C  C40  1  0.35006889  0.56597305  0.35786826  1
  C  C41  1  0.15030125  0.43561066  0.85876706  1
  C  C42  1  0.65084938  0.43552637  0.64118177  1
  C  C43  1  0.85038654  0.56670895  0.14293896  1
  C  C44  1  0.41447099  0.45474861  0.34305866  1
  C  C45  1  0.08674042  0.54736804  0.84434954  1
  C  C46  1  0.58682942  0.54697202  0.65596197  1
  C  C47  1  0.91440626  0.45526562  0.15777082  1
  C  C48  1  0.36073525  0.34090365  0.41192753  1
  C  C49  1  0.13917733  0.66023660  0.91454903  1
  C  C50  1  0.64003130  0.66013392  0.58613034  1
  C  C51  1  0.86075447  0.34157165  0.08862564  1
  C  C52  1  0.42398067  0.22291563  0.40313437  1
  C  C53  1  0.07904068  0.77961817  0.90475421  1
  C  C54  1  0.57807249  0.77913575  0.59494041  1
  C  C55  1  0.92354159  0.22332793  0.09768367  1
  C  C56  1  0.43526934  -0.00170806  0.45461085  1
  C  C57  1  0.06770230  1.00345784  0.95605514  1
  C  C58  1  0.56731391  1.00247425  0.54381361  1
  C  C59  1  0.93600419  -0.00066984  0.04545017  1
  N  N60  1  0.24499596  0.33476711  0.49252184  1
  N  N61  1  0.25109859  0.66405155  0.99739918  1
  N  N62  1  0.75328491  0.66512707  0.50478389  1
  N  N63  1  0.74572101  0.33578574  0.00776820  1
  N  N64  1  0.35757867  0.11303486  0.45968855  1
  N  N65  1  0.14698013  0.88958164  0.96162067  1
  N  N66  1  0.64600179  0.88853876  0.53876443  1
  N  N67  1  0.85825958  0.11382145  0.04043342  1
  N  N68  1  0.02644189  0.91697118  0.57283189  1
  N  N69  1  0.46502845  0.07810099  0.07878520  1
  N  N70  1  0.97080149  0.07832296  0.42295341  1
  N  N71  1  0.51695946  0.90802207  0.93148970  1
  N  N72  1  0.08428972  0.82904650  0.61014374  1
  N  N73  1  0.40244223  0.16262863  0.11766842  1
  N  N74  1  0.90276369  0.15936056  0.38457075  1
  N  N75  1  0.58143231  0.82645877  0.88974119  1
  N  N76  1  0.14883219  0.74944824  0.64536512  1
  N  N77  1  0.34391308  0.24720122  0.14964452  1
  N  N78  1  0.84103135  0.24212638  0.35190159  1
  N  N79  1  0.65080885  0.75152899  0.85257667  1
  N  N80  1  0.96836844  0.19595511  0.64855649  1
  N  N81  1  0.53047898  0.80615099  0.14868477  1
  N  N82  1  0.04129492  0.80743237  0.34835259  1
  N  N83  1  0.46908961  0.19721166  0.85130132  1
  N  N84  1  0.87951801  0.15731071  0.72410454  1
  N  N85  1  0.62117655  0.84448744  0.22428689  1
  N  N86  1  0.12294674  0.84046999  0.27009206  1
  N  N87  1  0.38010556  0.15872670  0.77574036  1
  N  N88  1  0.78506666  0.11670953  0.79596168  1
  N  N89  1  0.71679311  0.88073475  0.29524923  1
  N  N90  1  0.20596758  0.86315260  0.19103833  1
  N  N91  1  0.28571746  0.11831249  0.70390072  1
