# generated using pymatgen
data_Mn3VH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11944702
_cell_length_b   10.13723541
_cell_length_c   12.56146927
_cell_angle_alpha   90.03347618
_cell_angle_beta   89.98859581
_cell_angle_gamma   106.44663257
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3VH28(C7N8)4
_chemical_formula_sum   'Mn3 V1 H28 C28 N32'
_cell_volume   991.61464730
_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  0.16197554  0.13203588  0.55141383  1
  Mn  Mn1  1  0.33550048  0.86422333  0.05618481  1
  Mn  Mn2  1  0.83949385  0.86528226  0.44743370  1
  V  V3  1  0.65723200  0.12744242  0.94635796  1
  H  H4  1  0.11383942  0.44857567  0.57959994  1
  H  H5  1  0.38397332  0.54979443  0.07991986  1
  H  H6  1  0.88426324  0.55017017  0.41929478  1
  H  H7  1  0.61171053  0.44977974  0.91993517  1
  H  H8  1  0.18687914  0.64915015  0.45992122  1
  H  H9  1  0.31112819  0.34946035  0.95998777  1
  H  H10  1  0.81120275  0.34997364  0.53946786  1
  H  H11  1  0.68653406  0.64918444  0.03975294  1
  H  H12  1  0.38797285  0.65418294  0.30369794  1
  H  H13  1  0.11130478  0.34505273  0.80349734  1
  H  H14  1  0.61231505  0.34601723  0.69601650  1
  H  H15  1  0.88856427  0.65355332  0.19553910  1
  H  H16  1  0.50314954  0.45084178  0.27828896  1
  H  H17  1  0.99736965  0.54945714  0.77759130  1
  H  H18  1  0.49777106  0.55012814  0.72190623  1
  H  H19  1  0.00265707  0.44985719  0.22050498  1
  H  H20  1  0.52901175  0.23194904  0.34464928  1
  H  H21  1  0.97330877  0.76765291  0.84376539  1
  H  H22  1  0.47174840  0.76862180  0.65444166  1
  H  H23  1  0.02461363  0.22838002  0.15372778  1
  H  H24  1  0.50217555  0.00490799  0.37687970  1
  H  H25  1  0.99889530  0.99547371  0.87714090  1
  H  H26  1  0.49957143  0.99587190  0.62177495  1
  H  H27  1  -0.00088957  0.00508576  0.12214146  1
  H  H28  1  0.33260983  0.90332328  0.45688696  1
  H  H29  1  0.16740286  0.09642275  0.95795964  1
  H  H30  1  0.66960240  0.09674057  0.54163752  1
  H  H31  1  0.83089097  0.90123247  0.04228321  1
  C  C32  1  0.19438096  0.44871305  0.51005871  1
  C  C33  1  0.30446094  0.55001044  0.00997017  1
  C  C34  1  0.80454556  0.55050808  0.48913140  1
  C  C35  1  0.69188321  0.44843532  0.98952828  1
  C  C36  1  0.23898512  0.56335623  0.44335019  1
  C  C37  1  0.25973827  0.43550043  0.94307394  1
  C  C38  1  0.75987623  0.43615542  0.55610778  1
  C  C39  1  0.73800161  0.56300449  0.05614868  1
  C  C40  1  0.35050636  0.56643887  0.35746233  1
  C  C41  1  0.14874416  0.43300288  0.85704994  1
  C  C42  1  0.64916035  0.43375467  0.64233079  1
  C  C43  1  0.85009385  0.56568714  0.14183022  1
  C  C44  1  0.41558068  0.45550013  0.34296329  1
  C  C45  1  0.08457170  0.54436720  0.84235674  1
  C  C46  1  0.58450454  0.54486696  0.65690377  1
  C  C47  1  0.91422985  0.45433131  0.15631139  1
  C  C48  1  0.36268052  0.34195625  0.41209448  1
  C  C49  1  0.13808634  0.65784572  0.91161180  1
  C  C50  1  0.63740426  0.65806313  0.58743676  1
  C  C51  1  0.85949096  0.34020859  0.08750971  1
  C  C52  1  0.42542730  0.22390388  0.40247807  1
  C  C53  1  0.07597340  0.77627414  0.90231329  1
  C  C54  1  0.57529949  0.77640348  0.59667354  1
  C  C55  1  0.92126241  0.22213754  0.09618872  1
  C  C56  1  0.43670680  -0.00065594  0.45411960  1
  C  C57  1  0.06362029  1.00013002  0.95459360  1
  C  C58  1  0.56521791  1.00079606  0.54459746  1
  C  C59  1  0.93412546  -0.00201253  0.04460270  1
  N  N60  1  0.24764018  0.33581716  0.49324757  1
  N  N61  1  0.25300858  0.66351824  0.99251122  1
  N  N62  1  0.75198104  0.66373548  0.50619292  1
  N  N63  1  0.74354583  0.33470302  0.00653019  1
  N  N64  1  0.35963092  0.11412125  0.45931374  1
  N  N65  1  0.14080462  0.88535242  0.96012095  1
  N  N66  1  0.64158566  0.88550580  0.53918585  1
  N  N67  1  0.85587516  0.11222925  0.03781362  1
  N  N68  1  0.03200776  0.91540774  0.57444855  1
  N  N69  1  0.48220200  0.09145494  0.07094273  1
  N  N70  1  0.96639766  0.08358615  0.42569519  1
  N  N71  1  0.54084134  0.92195965  0.92594882  1
  N  N72  1  0.09209588  0.83068782  0.61476037  1
  N  N73  1  0.41866186  0.17498945  0.11078253  1
  N  N74  1  0.90625066  0.16773655  0.38470172  1
  N  N75  1  0.59848811  0.83596116  0.88440957  1
  N  N76  1  0.15403383  0.74895340  0.64876027  1
  N  N77  1  0.34933973  0.24979509  0.14774282  1
  N  N78  1  0.84617099  0.25051308  0.35049278  1
  N  N79  1  0.65185719  0.74997973  0.85005540  1
  N  N80  1  0.95675070  0.19505602  0.65546973  1
  N  N81  1  0.53014165  0.80075045  0.14947453  1
  N  N82  1  0.02895663  0.79996325  0.35043421  1
  N  N83  1  0.47901558  0.19739599  0.85275211  1
  N  N84  1  0.86973305  0.15917134  0.73098949  1
  N  N85  1  0.62207224  0.84055103  0.22357574  1
  N  N86  1  0.12178911  0.84232107  0.27730531  1
  N  N87  1  0.38347086  0.15772736  0.77954060  1
  N  N88  1  0.78146212  0.12998290  0.80767662  1
  N  N89  1  0.71984353  0.88333185  0.29349031  1
  N  N90  1  0.22035881  0.88728559  0.20803905  1
  N  N91  1  0.28565712  0.12196391  0.70921028  1
