# generated using pymatgen
data_Mn3VH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11943292
_cell_length_b   10.13734639
_cell_length_c   12.56142643
_cell_angle_alpha   90.03506132
_cell_angle_beta   89.98778110
_cell_angle_gamma   106.44686010
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3VH28(C7N8)4
_chemical_formula_sum   'Mn3 V1 H28 C28 N32'
_cell_volume   991.61922041
_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  0.16440877  0.13531768  0.55595467  1
  Mn  Mn1  1  0.33863550  0.86776732  0.05194229  1
  V  V2  1  0.84310290  0.87255889  0.44597105  1
  Mn  Mn3  1  0.66056531  0.13446754  0.94778555  1
  H  H4  1  0.11407712  0.44906738  0.57941117  1
  H  H5  1  0.38418090  0.55019521  0.08020200  1
  H  H6  1  0.88646418  0.54953098  0.41840039  1
  H  H7  1  0.61387653  0.44908359  0.92073860  1
  H  H8  1  0.18665253  0.64957223  0.45964689  1
  H  H9  1  0.31111822  0.34993889  0.96016152  1
  H  H10  1  0.81243714  0.35057908  0.53853357  1
  H  H11  1  0.68766184  0.64977451  0.04061200  1
  H  H12  1  0.38792264  0.65488045  0.30383064  1
  H  H13  1  0.11103171  0.34565850  0.80354498  1
  H  H14  1  0.61287488  0.34748565  0.69545152  1
  H  H15  1  0.88916898  0.65506245  0.19594945  1
  H  H16  1  0.50290906  0.45101009  0.27787336  1
  H  H17  1  0.99741601  0.54973678  0.77798062  1
  H  H18  1  0.49914614  0.55135063  0.72067961  1
  H  H19  1  0.00394226  0.45113630  0.22170521  1
  H  H20  1  0.52769751  0.23294078  0.34401583  1
  H  H21  1  0.97193830  0.76857623  0.84468600  1
  H  H22  1  0.47580919  0.77217943  0.65325587  1
  H  H23  1  0.02830441  0.23229357  0.15512211  1
  H  H24  1  0.50184352  0.00505935  0.37644198  1
  H  H25  1  0.99902677  0.99580551  0.87763038  1
  H  H26  1  0.50138447  0.99564983  0.62140523  1
  H  H27  1  0.00061069  0.00438795  0.12252210  1
  H  H28  1  0.33357306  0.90358198  0.45713942  1
  H  H29  1  0.16869691  0.09675397  0.95809557  1
  H  H30  1  0.66977690  0.09917359  0.54147797  1
  H  H31  1  0.83086099  0.90356097  0.04211803  1
  C  C32  1  0.19411360  0.44921998  0.50963556  1
  C  C33  1  0.30434387  0.55054520  0.01042242  1
  C  C34  1  0.80717304  0.55130169  0.48836340  1
  C  C35  1  0.69441895  0.44920378  0.99022960  1
  C  C36  1  0.23867563  0.56379082  0.44292179  1
  C  C37  1  0.25965898  0.43601794  0.94349822  1
  C  C38  1  0.76155842  0.43703228  0.55519941  1
  C  C39  1  0.73960821  0.56388409  0.05696382  1
  C  C40  1  0.35041473  0.56680051  0.35717807  1
  C  C41  1  0.14879427  0.43341983  0.85736645  1
  C  C42  1  0.65068429  0.43500756  0.64145827  1
  C  C43  1  0.85150136  0.56690608  0.14263486  1
  C  C44  1  0.41523614  0.45575404  0.34248372  1
  C  C45  1  0.08445447  0.54471708  0.84283607  1
  C  C46  1  0.58678671  0.54648495  0.65609727  1
  C  C47  1  0.91637494  0.45589795  0.15707772  1
  C  C48  1  0.36172351  0.34211892  0.41149242  1
  C  C49  1  0.13738799  0.65808149  0.91224427  1
  C  C50  1  0.64084647  0.66021269  0.58697212  1
  C  C51  1  0.86275592  0.34229711  0.08793883  1
  C  C52  1  0.42438280  0.22395455  0.40216980  1
  C  C53  1  0.07511646  0.77640882  0.90273680  1
  C  C54  1  0.57913096  0.77832433  0.59569340  1
  C  C55  1  0.92491746  0.22395161  0.09717752  1
  C  C56  1  0.43694863  0.00012218  0.45387362  1
  C  C57  1  0.06414435  1.00098571  0.95495030  1
  C  C58  1  0.56643475  1.00248354  0.54389395  1
  C  C59  1  0.93526145  -0.00050280  0.04525801  1
  N  N60  1  0.24630666  0.33604318  0.49220110  1
  N  N61  1  0.25194507  0.66379595  0.99356861  1
  N  N62  1  0.75621927  0.66533492  0.50569874  1
  N  N63  1  0.74758211  0.33625260  0.00701771  1
  N  N64  1  0.35923182  0.11458267  0.45953620  1
  N  N65  1  0.14077279  0.88591866  0.95995584  1
  N  N66  1  0.64442573  0.88810948  0.53725643  1
  N  N67  1  0.85879379  0.11472013  0.03976504  1
  N  N68  1  0.01771125  0.90880555  0.57083210  1
  N  N69  1  0.46769237  0.08477531  0.07464031  1
  N  N70  1  0.95937234  0.07773931  0.42513643  1
  N  N71  1  0.53396513  0.91608319  0.92635611  1
  N  N72  1  0.08112518  0.82523952  0.61065538  1
  N  N73  1  0.40727239  0.16918046  0.11519376  1
  N  N74  1  0.90153016  0.16353809  0.38359672  1
  N  N75  1  0.59377136  0.83174142  0.88523370  1
  N  N76  1  0.15020794  0.75017258  0.64737534  1
  N  N77  1  0.34540814  0.25103675  0.14915963  1
  N  N78  1  0.84755465  0.24911591  0.34920038  1
  N  N79  1  0.65370926  0.74894790  0.85083007  1
  N  N80  1  0.96879642  0.19815545  0.64914263  1
  N  N81  1  0.54194049  0.80424610  0.15554660  1
  N  N82  1  0.02218019  0.80256445  0.35315280  1
  N  N83  1  0.47191958  0.19994369  0.85007748  1
  N  N84  1  0.87812024  0.15855158  0.72378813  1
  N  N85  1  0.62973628  0.83996211  0.23080573  1
  N  N86  1  0.11733288  0.84228643  0.27978996  1
  N  N87  1  0.37902830  0.15763857  0.77695151  1
  N  N88  1  0.78204517  0.11613287  0.79457567  1
  N  N89  1  0.71893159  0.86880166  0.30708033  1
  N  N90  1  0.21487174  0.87845273  0.20936578  1
  N  N91  1  0.28054299  0.11358776  0.70747331  1
