# generated using pymatgen
data_MnCrH24C20(N3O4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.32989934
_cell_length_b   11.85240316
_cell_length_c   13.33989189
_cell_angle_alpha   116.04855614
_cell_angle_beta   86.94805329
_cell_angle_gamma   90.01813129
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCrH24C20(N3O4)4
_chemical_formula_sum   'Mn1 Cr1 H24 C20 N12 O16'
_cell_volume   1039.38694021
_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
  Cr  Cr0  1  0.49994127  0.50004893  0.50001934  1
  Mn  Mn1  1  0.99968434  0.99979009  0.50017912  1
  H  H2  1  0.44920093  0.28863960  0.57930121  1
  H  H3  1  0.05401192  0.70734905  0.41877361  1
  H  H4  1  0.55084246  0.71136413  0.42067999  1
  H  H5  1  0.95011780  0.29255753  0.58078817  1
  H  H6  1  0.45380450  0.26515666  0.75104377  1
  H  H7  1  0.04351214  0.51146117  0.24762464  1
  H  H8  1  0.54613960  0.73481999  0.24890178  1
  H  H9  1  0.95406471  0.48840642  0.75252187  1
  H  H10  1  0.53649867  0.66542031  0.92965069  1
  H  H11  1  0.96076331  0.73353967  0.06739225  1
  H  H12  1  0.46346798  0.33454303  0.07033634  1
  H  H13  1  0.03806451  0.26639331  0.93276432  1
  H  H14  1  0.53062754  0.67717376  0.75115479  1
  H  H15  1  0.97304957  0.92313822  0.24605711  1
  H  H16  1  0.46931434  0.32284585  0.24889033  1
  H  H17  1  0.03150289  0.07704677  0.75373132  1
  H  H18  1  0.39793527  0.74644524  0.59480915  1
  H  H19  1  0.11098455  0.15316792  0.39855865  1
  H  H20  1  0.60171183  0.25357824  0.40518356  1
  H  H21  1  0.88795724  0.84668574  0.60134720  1
  H  H22  1  0.21490123  0.66844720  0.59215751  1
  H  H23  1  0.29388916  0.08165742  0.39886001  1
  H  H24  1  0.78493096  0.33156256  0.40790281  1
  H  H25  1  0.70460487  0.91774653  0.60084094  1
  C  C26  1  0.46993602  0.37185681  0.65681569  1
  C  C27  1  0.03149922  0.71222075  0.34070804  1
  C  C28  1  0.53003107  0.62815921  0.34317416  1
  C  C29  1  0.97070461  0.28777572  0.65909810  1
  C  C30  1  0.47034019  0.35752224  0.75389042  1
  C  C31  1  0.02857066  0.60094864  0.24461189  1
  C  C32  1  0.52962472  0.64245642  0.24607657  1
  C  C33  1  0.97132863  0.39899435  0.75538413  1
  C  C34  1  0.49258207  0.46357387  0.85533974  1
  C  C35  1  0.00528934  0.60679068  0.14351844  1
  C  C36  1  0.50729104  0.53639620  0.14464687  1
  C  C37  1  0.99378203  0.39316069  0.85656694  1
  C  C38  1  0.51588448  0.58063790  0.85371429  1
  C  C39  1  0.98293311  0.72460351  0.14348649  1
  C  C40  1  0.48403659  0.41933072  0.14628107  1
  C  C41  1  0.01759656  0.27540631  0.85651309  1
  C  C42  1  0.51411010  0.58672773  0.75295062  1
  C  C43  1  0.98708527  0.83054859  0.24403120  1
  C  C44  1  0.48577425  0.41328584  0.24706791  1
  C  C45  1  0.01547078  0.16952651  0.75580107  1
  N  N46  1  0.49231323  0.48389434  0.65314406  1
  N  N47  1  0.00862641  0.82560941  0.34233685  1
  N  N48  1  0.50749020  0.51615133  0.34689422  1
  N  N49  1  0.99386939  0.17442058  0.65746839  1
  N  N50  1  0.49133171  0.44909290  0.95598472  1
  N  N51  1  0.00561320  0.49259374  0.04426226  1
  N  N52  1  0.50842522  0.55088004  0.04401038  1
  N  N53  1  0.99120156  0.50726794  0.95597714  1
  N  N54  1  0.86793290  0.62142961  0.59030427  1
  N  N55  1  0.62752323  0.03962950  0.40715624  1
  N  N56  1  0.13209959  0.37872700  0.40967997  1
  N  N57  1  0.37176807  0.96057312  0.59303424  1
  O  O58  1  0.71440826  0.62728523  0.54727054  1
  O  O59  1  0.77634991  0.08853404  0.45087890  1
  O  O60  1  0.28560929  0.37284795  0.45271017  1
  O  O61  1  0.22166318  0.91287109  0.55055698  1
  O  O62  1  0.90568012  0.53234191  0.61040642  1
  O  O63  1  0.58844429  0.93014174  0.38612258  1
  O  O64  1  0.09427455  0.46794502  0.38977387  1
  O  O65  1  0.41294558  0.06948692  0.61324084  1
  O  O66  1  0.97598024  0.71134004  0.60859597  1
  O  O67  1  0.51909391  0.11073300  0.38558580  1
  O  O68  1  0.02409094  0.28874044  0.39119733  1
  O  O69  1  0.47950730  0.88885802  0.61428205  1
  O  O70  1  0.35026356  0.66140189  0.58068637  1
  O  O71  1  0.15855354  0.08159516  0.40955476  1
  O  O72  1  0.64960610  0.33863086  0.41958488  1
  O  O73  1  0.83993977  0.91807402  0.59023211  1
