# generated using pymatgen
data_MnCrH20C28(N3O2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.40923324
_cell_length_b   9.52865136
_cell_length_c   9.53280534
_cell_angle_alpha   81.78559088
_cell_angle_beta   75.38789342
_cell_angle_gamma   75.78267412
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCrH20C28(N3O2)4
_chemical_formula_sum   'Mn1 Cr1 H20 C28 N12 O8'
_cell_volume   798.72153775
_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  0.74200016  0.93860566  0.72609764  1
  Cr  Cr1  1  0.23896149  0.71067645  0.95184415  1
  H  H2  1  0.38997133  0.01365938  0.60873249  1
  H  H3  1  0.88728977  0.61340364  0.02553188  1
  H  H4  1  0.59477794  0.49268747  0.77677350  1
  H  H5  1  0.10512465  0.77222506  0.48339713  1
  H  H6  1  0.87289398  0.87497614  0.17500415  1
  H  H7  1  0.36855475  0.18092417  0.88244544  1
  H  H8  1  0.07737967  0.31028597  0.24838075  1
  H  H9  1  0.57933052  0.24482100  0.29648222  1
  H  H10  1  0.58734375  0.92453876  0.08010928  1
  H  H11  1  0.08511507  0.08895329  0.92395098  1
  H  H12  1  0.95920505  0.11500722  0.40793862  1
  H  H13  1  0.46754820  0.40656396  0.10072827  1
  H  H14  1  0.78972797  0.63500966  0.53300707  1
  H  H15  1  0.29447459  0.53041862  0.62160177  1
  H  H16  1  0.21143401  0.03085037  0.44846184  1
  H  H17  1  0.70971700  0.45494926  0.03303355  1
  H  H18  1  0.30813880  0.98515035  0.18648294  1
  H  H19  1  0.80660392  0.19374050  0.98277823  1
  H  H20  1  0.98757152  0.56803377  0.30682064  1
  H  H21  1  0.49054312  0.30356419  0.55438131  1
  C  C22  1  0.42995263  0.99351319  0.49453473  1
  C  C23  1  0.92805914  0.50011764  0.00256632  1
  C  C24  1  0.43474142  0.90007596  0.86918450  1
  C  C25  1  0.95637421  0.86147453  0.90481843  1
  C  C26  1  0.53448246  0.74755663  0.83950977  1
  C  C27  1  0.05464776  0.82077996  0.75338907  1
  C  C28  1  0.98920824  0.33774192  0.34573457  1
  C  C29  1  0.49301524  0.34292122  0.32424242  1
  C  C30  1  0.54185854  0.94260859  0.19426450  1
  C  C31  1  0.03974549  0.20233222  0.94473554  1
  C  C32  1  0.82026285  0.26708910  0.56121086  1
  C  C33  1  0.32886769  0.56017430  0.25264918  1
  C  C34  1  0.92846182  0.22753871  0.43460852  1
  C  C35  1  0.43537791  0.43312674  0.21348064  1
  C  C36  1  0.82922103  0.52324105  0.50466134  1
  C  C37  1  0.33447008  0.50214323  0.50962233  1
  C  C38  1  0.77175986  0.41222428  0.59456407  1
  C  C39  1  0.27925923  0.59244769  0.39796683  1
  C  C40  1  0.63846200  0.93147626  0.28649903  1
  C  C41  1  0.13645676  0.29434844  0.93841039  1
  C  C42  1  0.33244593  0.00337322  0.40347658  1
  C  C43  1  0.83056774  0.40975018  0.00716907  1
  C  C44  1  0.38693996  0.97838249  0.25506835  1
  C  C45  1  0.88502586  0.26233547  0.97918200  1
  C  C46  1  0.93937530  0.48361419  0.37929344  1
  C  C47  1  0.44313739  0.37637763  0.47028478  1
  C  C48  1  0.58461797  0.95712481  0.43350997  1
  C  C49  1  0.08258774  0.43980084  0.96792491  1
  N  N50  1  0.83262020  0.91485615  0.38974448  1
  N  N51  1  0.33274727  0.39426456  0.92586839  1
  N  N52  1  0.64662498  0.27111213  0.76591153  1
  N  N53  1  0.15409857  0.76635706  0.26055453  1
  N  N54  1  0.70922259  0.94402687  0.49139101  1
  N  N55  1  0.20938025  0.49662665  0.95759710  1
  N  N56  1  0.66602718  0.40609289  0.72337327  1
  N  N57  1  0.17472541  0.72159058  0.39343038  1
  N  N58  1  0.74031738  0.18560865  0.67103802  1
  N  N59  1  0.25034528  0.67361853  0.17188339  1
  N  N60  1  0.79237699  0.90490430  0.26768051  1
  N  N61  1  0.29033707  0.27501658  0.91276746  1
  O  O62  1  0.46449957  0.64294822  0.87832390  1
  O  O63  1  0.99222400  0.85513896  0.64644771  1
  O  O64  1  0.49611740  0.00784164  0.83059683  1
  O  O65  1  1.01933273  0.81076552  0.01187686  1
  O  O66  1  0.29673106  0.90509514  0.93070331  1
  O  O67  1  0.82444172  0.93575970  0.91612443  1
  O  O68  1  0.67143928  0.73415495  0.77938189  1
  O  O69  1  0.18994348  0.75284337  0.75012072  1
