# generated using pymatgen
data_MnVH28C32(NO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.90403016
_cell_length_b   11.64826266
_cell_length_c   12.33402839
_cell_angle_alpha   118.36436845
_cell_angle_beta   100.11005161
_cell_angle_gamma   89.90476722
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnVH28C32(NO3)4
_chemical_formula_sum   'Mn1 V1 H28 C32 N4 O12'
_cell_volume   979.33600526
_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
  V  V0  1  0.99999920  0.99999980  0.49999887  1
  Mn  Mn1  1  0.50000169  0.50000128  0.50000172  1
  H  H2  1  0.83701815  0.90805130  0.62056937  1
  H  H3  1  0.65663790  0.27710462  0.36995153  1
  H  H4  1  0.16298062  0.09194788  0.37942869  1
  H  H5  1  0.34336361  0.72289718  0.63005055  1
  H  H6  1  0.02031454  0.84279599  0.61228920  1
  H  H7  1  0.47502619  0.21908329  0.37387383  1
  H  H8  1  0.97968477  0.15720394  0.38770918  1
  H  H9  1  0.52497573  0.78091799  0.62612851  1
  H  H10  1  0.76542976  0.94181451  0.25210363  1
  H  H11  1  0.73474614  0.68918739  0.75204217  1
  H  H12  1  0.23456951  0.05818493  0.74789386  1
  H  H13  1  0.26525480  0.31081358  0.24796279  1
  H  H14  1  0.57715515  0.75328873  0.07786806  1
  H  H15  1  0.92242498  0.67537432  0.92729513  1
  H  H16  1  0.42284417  0.24671097  0.92212867  1
  H  H17  1  0.07757278  0.32462556  0.07271047  1
  H  H18  1  0.79691841  0.51424061  0.24001893  1
  H  H19  1  0.70485139  0.27089383  0.75838304  1
  H  H20  1  0.20307519  0.48575909  0.75997969  1
  H  H21  1  0.29514961  0.72910430  0.24161685  1
  H  H22  1  0.99234097  0.70795305  0.39944783  1
  H  H23  1  0.51559481  0.30692399  0.59714972  1
  H  H24  1  0.00765438  0.29204590  0.60055041  1
  H  H25  1  0.48440870  0.69307577  0.40285004  1
  H  H26  1  0.57130953  0.41220167  0.05588708  1
  H  H27  1  0.93136130  0.35498274  0.94530507  1
  H  H28  1  0.42868704  0.58779830  0.94411010  1
  H  H29  1  0.06863834  0.64501554  0.05469685  1
  C  C30  1  0.76888490  0.84536418  0.24607111  1
  C  C31  1  0.73360506  0.59834867  0.75715188  1
  C  C32  1  0.23111370  0.15463516  0.75392614  1
  C  C33  1  0.26639603  0.40165174  0.24285202  1
  C  C34  1  0.66328544  0.73944038  0.14926353  1
  C  C35  1  0.83821374  0.58950662  0.85452579  1
  C  C36  1  0.33671283  0.26055922  0.85073360  1
  C  C37  1  0.16178595  0.41049295  0.14547819  1
  C  C38  1  0.66806130  0.61591823  0.14473513  1
  C  C39  1  0.83314670  0.46928757  0.85658723  1
  C  C40  1  0.33193579  0.38408158  0.85526241  1
  C  C41  1  0.16685331  0.53071114  0.14341509  1
  C  C42  1  0.78761241  0.60714371  0.23904042  1
  C  C43  1  0.71519609  0.36540325  0.76075687  1
  C  C44  1  0.21238329  0.39285574  0.76095753  1
  C  C45  1  0.28480502  0.63459547  0.23924419  1
  C  C46  1  0.89353340  0.71619876  0.33038434  1
  C  C47  1  0.61226040  0.38421741  0.66904530  1
  C  C48  1  0.10646294  0.28380038  0.66961351  1
  C  C49  1  0.38774220  0.61578214  0.33095571  1
  C  C50  1  0.62141808  0.03660106  0.50343586  1
  C  C51  1  0.87919860  0.53283552  0.48936359  1
  C  C52  1  0.37858089  0.96339905  0.49656371  1
  C  C53  1  0.12080421  0.46716547  0.51063813  1
  C  C54  1  0.55558217  0.94775833  0.54321457  1
  C  C55  1  0.94421719  0.40354489  0.45311741  1
  C  C56  1  0.44441699  0.05224200  0.45678525  1
  C  C57  1  0.05578531  0.59645620  0.54688428  1
  C  C58  1  0.55867229  0.50166919  0.04845124  1
  C  C59  1  0.94222110  0.45180072  0.95228097  1
  C  C60  1  0.44132471  0.49833095  0.95154624  1
  C  C61  1  0.05777855  0.54819778  0.04772143  1
  N  N62  1  0.88021672  0.83676001  0.33960485  1
  N  N63  1  0.62663620  0.49619643  0.66344820  1
  N  N64  1  0.11978122  0.16323908  0.66039252  1
  N  N65  1  0.37336676  0.50380371  0.33655406  1
  O  O66  1  0.96026331  0.91892649  0.61283531  1
  O  O67  1  0.53375667  0.29399075  0.37312472  1
  O  O68  1  0.03973529  0.08107297  0.38716266  1
  O  O69  1  0.46624511  0.70601122  0.62687878  1
  O  O70  1  0.76948849  0.08620050  0.51292551  1
  O  O71  1  0.73491331  0.57582448  0.47757834  1
  O  O72  1  0.23050962  0.91379925  0.48707205  1
  O  O73  1  0.26508941  0.42417663  0.52242346  1
  O  O74  1  0.62823820  0.89820167  0.60905438  1
  O  O75  1  0.87634541  0.28662632  0.39516542  1
  O  O76  1  0.37176058  0.10179810  0.39094491  1
  O  O77  1  0.12365677  0.71337470  0.60483379  1
