# generated using pymatgen
data_Mn2CrNiH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11713353
_cell_length_b   10.13686979
_cell_length_c   12.55363142
_cell_angle_alpha   90.03630771
_cell_angle_beta   89.99012106
_cell_angle_gamma   106.45169603
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CrNiH28(C7N8)4
_chemical_formula_sum   'Mn2 Cr1 Ni1 H28 C28 N32'
_cell_volume   990.65194328
_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
  Cr  Cr0  1  0.15129439  0.12838074  0.55217399  1
  Ni  Ni1  1  0.33759125  0.86724954  0.05907536  1
  Mn  Mn2  1  0.84077736  0.86629620  0.44276526  1
  Mn  Mn3  1  0.65393277  0.12990461  0.94950497  1
  H  H4  1  0.11333089  0.44887305  0.58252493  1
  H  H5  1  0.38598068  0.55220154  0.08263081  1
  H  H6  1  0.88527947  0.55028693  0.41792045  1
  H  H7  1  0.61237095  0.44775590  0.91956229  1
  H  H8  1  0.18442553  0.64657547  0.46158385  1
  H  H9  1  0.31278592  0.35272241  0.96319922  1
  H  H10  1  0.81289179  0.35054655  0.53888046  1
  H  H11  1  0.68651779  0.64854418  0.03888887  1
  H  H12  1  0.38562886  0.65102602  0.30524764  1
  H  H13  1  0.11257849  0.34731580  0.80711628  1
  H  H14  1  0.61258248  0.34668300  0.69453172  1
  H  H15  1  0.89186037  0.65513943  0.19324270  1
  H  H16  1  0.49820797  0.44672880  0.27892971  1
  H  H17  1  1.00144814  0.55322637  0.77913282  1
  H  H18  1  0.50280823  0.55289264  0.72226760  1
  H  H19  1  0.00166007  0.44963653  0.22086304  1
  H  H20  1  0.52666570  0.22838664  0.34700273  1
  H  H21  1  0.97113628  0.76894200  0.84901093  1
  H  H22  1  0.47402304  0.76855257  0.65325951  1
  H  H23  1  0.03000446  0.23264750  0.15241717  1
  H  H24  1  0.49270721  -0.00198729  0.37586053  1
  H  H25  1  1.00949025  1.00223742  0.87789254  1
  H  H26  1  0.50478876  1.00005337  0.62123521  1
  H  H27  1  -0.00643439  -0.00097539  0.12325543  1
  H  H28  1  0.32825881  0.89799533  0.46026159  1
  H  H29  1  0.17374304  0.09922404  0.96495215  1
  H  H30  1  0.66862825  0.09792523  0.53585811  1
  H  H31  1  0.82950920  0.90148416  0.03720276  1
  C  C32  1  0.19302665  0.44680706  0.51272931  1
  C  C33  1  0.30556691  0.55368012  0.01324943  1
  C  C34  1  0.80712410  0.55139078  0.48844994  1
  C  C35  1  0.69138283  0.44704469  0.98974696  1
  C  C36  1  0.23667984  0.56074475  0.44537181  1
  C  C37  1  0.26160628  0.43888701  0.94617836  1
  C  C38  1  0.76227536  0.43713262  0.55556306  1
  C  C39  1  0.73746468  0.56223629  0.05595357  1
  C  C40  1  0.34770584  0.56327611  0.35909652  1
  C  C41  1  0.15082047  0.43602839  0.86000975  1
  C  C42  1  0.65175936  0.43528636  0.64180282  1
  C  C43  1  0.85015039  0.56565974  0.14129927  1
  C  C44  1  0.41214230  0.45199651  0.34435660  1
  C  C45  1  0.08702431  0.54747804  0.84471502  1
  C  C46  1  0.58898065  0.54731996  0.65698051  1
  C  C47  1  0.91350576  0.45390735  0.15640074  1
  C  C48  1  0.36002441  0.33862447  0.41392241  1
  C  C49  1  0.13911829  0.66063673  0.91471649  1
  C  C50  1  0.64216833  0.66034264  0.58731837  1
  C  C51  1  0.85916412  0.33975386  0.08779071  1
  C  C52  1  0.42135428  0.21973725  0.40376715  1
  C  C53  1  0.07682378  0.77967403  0.90545395  1
  C  C54  1  0.57877809  0.77837238  0.59591128  1
  C  C55  1  0.92324640  0.22207076  0.09640272  1
  C  C56  1  0.43097573  -0.00532416  0.45429607  1
  C  C57  1  0.06914687  1.00405954  0.95685247  1
  C  C58  1  0.56545319  1.00162061  0.54265218  1
  C  C59  1  0.93346806  -0.00279459  0.04457553  1
  N  N60  1  0.24672970  0.33382249  0.49627202  1
  N  N61  1  0.25076487  0.66528981  0.99689758  1
  N  N62  1  0.75666839  0.66537881  0.50614020  1
  N  N63  1  0.74255019  0.33330813  0.00746178  1
  N  N64  1  0.35201293  0.10863758  0.45883623  1
  N  N65  1  0.14512469  0.88882365  0.96133257  1
  N  N66  1  0.64395187  0.88748756  0.53838615  1
  N  N67  1  0.85587797  0.11166243  0.04069063  1
  N  N68  1  0.03810148  0.92318669  0.57920834  1
  N  N69  1  0.46792549  0.08166682  0.07980975  1
  N  N70  1  0.98408065  0.09058365  0.42758494  1
  N  N71  1  0.53186856  0.91711402  0.92163534  1
  N  N72  1  0.10011934  0.83884606  0.61853308  1
  N  N73  1  0.40025619  0.16300483  0.11765877  1
  N  N74  1  0.91844822  0.17268035  0.38782458  1
  N  N75  1  0.59218760  0.83030804  0.88599899  1
  N  N76  1  0.15922196  0.75481389  0.65097769  1
  N  N77  1  0.33582948  0.24447210  0.14976071  1
  N  N78  1  0.84754982  0.24717617  0.35187777  1
  N  N79  1  0.65470312  0.74739245  0.85422704  1
  N  N80  1  0.96351621  0.18959116  0.64423079  1
  N  N81  1  0.53274188  0.80247657  0.14944218  1
  N  N82  1  0.03770488  0.80808582  0.34755598  1
  N  N83  1  0.45185945  0.18810940  0.84623159  1
  N  N84  1  0.88033808  0.15491533  0.72303495  1
  N  N85  1  0.61975478  0.84284376  0.22513579  1
  N  N86  1  0.12090309  0.83933009  0.26854305  1
  N  N87  1  0.37392821  0.16227510  0.76581776  1
  N  N88  1  0.79210726  0.12462926  0.79834845  1
  N  N89  1  0.71344998  0.88516688  0.29737997  1
  N  N90  1  0.21096214  0.86868452  0.19409872  1
  N  N91  1  0.29535722  0.14613220  0.68526576  1
