# generated using pymatgen
data_Mn2VNiH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11794484
_cell_length_b   10.13545614
_cell_length_c   12.55837925
_cell_angle_alpha   90.02910092
_cell_angle_beta   89.99507406
_cell_angle_gamma   106.44600914
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2VNiH28(C7N8)4
_chemical_formula_sum   'Mn2 V1 Ni1 H28 C28 N32'
_cell_volume   991.01655629
_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
  Ni  Ni0  1  0.16057974  0.13387189  0.55579857  1
  V  V1  1  0.34307793  0.87251469  0.05427234  1
  Mn  Mn2  1  0.84120921  0.87025244  0.44935072  1
  Mn  Mn3  1  0.66384225  0.13560617  0.94160201  1
  H  H4  1  0.11248145  0.44843004  0.57986148  1
  H  H5  1  0.38624830  0.54900498  0.08091700  1
  H  H6  1  0.88432278  0.55006105  0.41960525  1
  H  H7  1  0.61416778  0.44986882  0.92116515  1
  H  H8  1  0.18622301  0.64785088  0.46099266  1
  H  H9  1  0.31191415  0.35008623  0.96065111  1
  H  H10  1  0.81143532  0.35008423  0.53936782  1
  H  H11  1  0.68727328  0.65023692  0.04097827  1
  H  H12  1  0.38699828  0.65315017  0.30467515  1
  H  H13  1  0.11202752  0.34683129  0.80387762  1
  H  H14  1  0.61014862  0.34545030  0.69576120  1
  H  H15  1  0.88931741  0.65536210  0.19663880  1
  H  H16  1  0.50235232  0.44918303  0.27908303  1
  H  H17  1  0.99831660  0.55083489  0.77899543  1
  H  H18  1  0.49713908  0.54975622  0.72158681  1
  H  H19  1  0.00363950  0.45110146  0.22222094  1
  H  H20  1  0.52797099  0.23218908  0.34578555  1
  H  H21  1  0.97691587  0.77268478  0.84567890  1
  H  H22  1  0.47116319  0.76807438  0.65481019  1
  H  H23  1  0.02636110  0.23276302  0.15674428  1
  H  H24  1  0.49996512  0.00477681  0.37742958  1
  H  H25  1  1.00161338  0.99536408  0.87800841  1
  H  H26  1  0.49812407  0.99589313  0.62244451  1
  H  H27  1  0.00211624  0.00546293  0.12322199  1
  H  H28  1  0.33056350  0.90258044  0.45824186  1
  H  H29  1  0.17018588  0.09900517  0.95762224  1
  H  H30  1  0.66764663  0.09721648  0.54216284  1
  H  H31  1  0.83357320  0.90417658  0.04266250  1
  C  C32  1  0.19445510  0.44726702  0.51120419  1
  C  C33  1  0.30682938  0.55087278  0.01101821  1
  C  C34  1  0.80484708  0.55092071  0.48951979  1
  C  C35  1  0.69457746  0.44992455  0.99076406  1
  C  C36  1  0.23839265  0.56209471  0.44431752  1
  C  C37  1  0.26096715  0.43651708  0.94411252  1
  C  C38  1  0.76009613  0.43625134  0.55627186  1
  C  C39  1  0.73947780  0.56454928  0.05767453  1
  C  C40  1  0.34995493  0.56543113  0.35846440  1
  C  C41  1  0.14992124  0.43441965  0.85796290  1
  C  C42  1  0.64888162  0.43352028  0.64228303  1
  C  C43  1  0.85142676  0.56727745  0.14320299  1
  C  C44  1  0.41533050  0.45466843  0.34393767  1
  C  C45  1  0.08626429  0.54603263  0.84341166  1
  C  C46  1  0.58462805  0.54487213  0.65688750  1
  C  C47  1  0.91586813  0.45598447  0.15770355  1
  C  C48  1  0.36285506  0.34138110  0.41365143  1
  C  C49  1  0.14068197  0.65992494  0.91254046  1
  C  C50  1  0.63780138  0.65846051  0.58770242  1
  C  C51  1  0.86191623  0.34239121  0.08855292  1
  C  C52  1  0.42468640  0.22233521  0.40384759  1
  C  C53  1  0.07948276  0.77833130  0.90371814  1
  C  C54  1  0.57513377  0.77664505  0.59714339  1
  C  C55  1  0.92405244  0.22392469  0.09784055  1
  C  C56  1  0.43434690  -0.00124745  0.45478345  1
  C  C57  1  0.06662717  1.00240067  0.95558474  1
  C  C58  1  0.56356164  1.00110245  0.54522419  1
  C  C59  1  0.93728648  0.00055618  0.04572481  1
  N  N60  1  0.25053857  0.33600376  0.49558680  1
  N  N61  1  0.25585001  0.66492406  0.99395200  1
  N  N62  1  0.75289909  0.66435940  0.50657436  1
  N  N63  1  0.74675238  0.33668838  0.00769163  1
  N  N64  1  0.35725292  0.11348010  0.46022137  1
  N  N65  1  0.14449318  0.88788022  0.96257250  1
  N  N66  1  0.64098699  0.88646317  0.54037725  1
  N  N67  1  0.85960690  0.11506013  0.03976781  1
  N  N68  1  0.03050883  0.91810517  0.57604438  1
  N  N69  1  0.45882529  0.07778454  0.07440267  1
  N  N70  1  0.97056448  0.08391622  0.42412438  1
  N  N71  1  0.51791661  0.90807344  0.92955112  1
  N  N72  1  0.09526046  0.83560971  0.61499411  1
  N  N73  1  0.40148147  0.16396822  0.11595064  1
  N  N74  1  0.91181238  0.17095500  0.38694176  1
  N  N75  1  0.58121147  0.82423888  0.88984784  1
  N  N76  1  0.15540069  0.75197421  0.64787791  1
  N  N77  1  0.34839250  0.25007442  0.15033741  1
  N  N78  1  0.84801280  0.25182822  0.35308634  1
  N  N79  1  0.65045268  0.74948408  0.85281474  1
  N  N80  1  0.97087797  0.20015797  0.64926907  1
  N  N81  1  0.52072317  0.80184899  0.14804225  1
  N  N82  1  0.04400678  0.80574897  0.34566887  1
  N  N83  1  0.46719076  0.19807135  0.84618985  1
  N  N84  1  0.87986610  0.15632984  0.72267386  1
  N  N85  1  0.61726795  0.84169432  0.22083161  1
  N  N86  1  0.13047003  0.84083519  0.26981904  1
  N  N87  1  0.37571113  0.16080817  0.77126871  1
  N  N88  1  0.78156761  0.11138934  0.79230594  1
  N  N89  1  0.71707969  0.87897106  0.28988014  1
  N  N90  1  0.21858626  0.86955909  0.19302511  1
  N  N91  1  0.27917564  0.11719649  0.70105668  1
