# generated using pymatgen
data_MnVH28C32(NO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.90320660
_cell_length_b   11.64788330
_cell_length_c   12.32495788
_cell_angle_alpha   118.29229376
_cell_angle_beta   100.11931563
_cell_angle_gamma   89.90907996
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnVH28C32(NO3)4
_chemical_formula_sum   'Mn1 V1 H28 C32 N4 O12'
_cell_volume   979.12788415
_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  0.99999923  0.99999954  0.49999834  1
  V  V1  1  0.50000148  0.50000018  0.50000103  1
  H  H2  1  0.84296037  0.90784106  0.62992976  1
  H  H3  1  0.66349304  0.28676027  0.37980835  1
  H  H4  1  0.15703931  0.09215786  0.37006769  1
  H  H5  1  0.33650986  0.71324026  0.62019280  1
  H  H6  1  0.02479756  0.84600096  0.62601846  1
  H  H7  1  0.47981276  0.23017086  0.38768731  1
  H  H8  1  0.97520220  0.15399802  0.37397898  1
  H  H9  1  0.52018996  0.76982956  0.61231444  1
  H  H10  1  0.76300669  0.93756848  0.25019699  1
  H  H11  1  0.73215352  0.69148898  0.74996700  1
  H  H12  1  0.23699076  0.06243154  0.74980072  1
  H  H13  1  0.26784724  0.30851200  0.25003779  1
  H  H14  1  0.57460432  0.74861816  0.07488744  1
  H  H15  1  0.91989164  0.67727844  0.92414250  1
  H  H16  1  0.42539476  0.25138164  0.92510870  1
  H  H17  1  0.08010626  0.32272165  0.07586290  1
  H  H18  1  0.79750251  0.51085677  0.23940611  1
  H  H19  1  0.70483541  0.27417468  0.75851204  1
  H  H20  1  0.20249263  0.48914281  0.76059091  1
  H  H21  1  0.29516572  0.72582393  0.24148843  1
  H  H22  1  0.98553088  0.70856190  0.40207001  1
  H  H23  1  0.50857401  0.30876635  0.59969341  1
  H  H24  1  0.01446393  0.29143800  0.59792815  1
  H  H25  1  0.49142854  0.69123365  0.40030727  1
  H  H26  1  0.57034045  0.40854083  0.05288599  1
  H  H27  1  0.93022610  0.35569809  0.94218418  1
  H  H28  1  0.42965573  0.59145928  0.94711088  1
  H  H29  1  0.06977390  0.64430066  0.05781833  1
  C  C30  1  0.76497857  0.84124992  0.24427424  1
  C  C31  1  0.72964338  0.60062284  0.75516219  1
  C  C32  1  0.23501790  0.15875007  0.75572347  1
  C  C33  1  0.27035762  0.39937762  0.24484155  1
  C  C34  1  0.66017250  0.73507881  0.14675293  1
  C  C35  1  0.83505625  0.59150308  0.85196176  1
  C  C36  1  0.33982468  0.26492109  0.85324392  1
  C  C37  1  0.16494335  0.40849693  0.14804215  1
  C  C38  1  0.66689614  0.61222883  0.14343444  1
  C  C39  1  0.83178304  0.47190264  0.85536795  1
  C  C40  1  0.33310021  0.38777113  0.85656266  1
  C  C41  1  0.16821712  0.52809646  0.14463463  1
  C  C42  1  0.78596143  0.60362372  0.23837818  1
  C  C43  1  0.71316068  0.36847572  0.76029152  1
  C  C44  1  0.21403383  0.39637592  0.76161919  1
  C  C45  1  0.28684056  0.63152337  0.23970986  1
  C  C46  1  0.88842497  0.71428069  0.33062812  1
  C  C47  1  0.60694895  0.38628274  0.66921036  1
  C  C48  1  0.11156981  0.28571887  0.66936981  1
  C  C49  1  0.39305327  0.61371701  0.33079100  1
  C  C50  1  0.62065949  0.04340035  0.51048406  1
  C  C51  1  0.87846211  0.53312281  0.49644073  1
  C  C52  1  0.37934061  0.95660027  0.48951573  1
  C  C53  1  0.12154105  0.46687758  0.50356350  1
  C  C54  1  0.55617846  0.95050119  0.54677961  1
  C  C55  1  0.94467266  0.40428114  0.45634407  1
  C  C56  1  0.44382129  0.04949930  0.45322065  1
  C  C57  1  0.05533057  0.59571948  0.54366042  1
  C  C58  1  0.55823091  0.49903227  0.04720765  1
  C  C59  1  0.94166032  0.45331687  0.95106789  1
  C  C60  1  0.44176552  0.50096789  0.95278925  1
  C  C61  1  0.05833951  0.54668212  0.04893475  1
  N  N62  1  0.87308064  0.83226888  0.33713946  1
  N  N63  1  0.61955146  0.49805021  0.66073951  1
  N  N64  1  0.12691368  0.16773069  0.66285885  1
  N  N65  1  0.38045164  0.50195016  0.33926295  1
  O  O66  1  0.96594637  0.92192636  0.62721760  1
  O  O67  1  0.54013363  0.30555593  0.38723726  1
  O  O68  1  0.03405282  0.07807202  0.37277880  1
  O  O69  1  0.45986957  0.69444470  0.61276489  1
  O  O70  1  0.76452848  0.09820150  0.52192654  1
  O  O71  1  0.73039350  0.57382828  0.48802705  1
  O  O72  1  0.23547077  0.90179787  0.47807024  1
  O  O73  1  0.26960976  0.42617213  0.51197532  1
  O  O74  1  0.62399023  0.89172136  0.60481714  1
  O  O75  1  0.87240542  0.28857852  0.39120790  1
  O  O76  1  0.37601040  0.10827950  0.39518347  1
  O  O77  1  0.12759714  0.71142245  0.60879127  1
