# generated using pymatgen
data_Mn2FeNiH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11753579
_cell_length_b   10.13473670
_cell_length_c   12.55728916
_cell_angle_alpha   90.03243198
_cell_angle_beta   89.98487424
_cell_angle_gamma   106.43966757
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2FeNiH28(C7N8)4
_chemical_formula_sum   'Mn2 Fe1 Ni1 H28 C28 N32'
_cell_volume   990.84259893
_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  0.15962177  0.13336009  0.55560795  1
  Fe  Fe1  1  0.33648616  0.87356755  0.05824054  1
  Mn  Mn2  1  0.84248993  0.86999908  0.44676550  1
  Mn  Mn3  1  0.65893367  0.13342247  0.94469157  1
  H  H4  1  0.11254937  0.44839543  0.57974589  1
  H  H5  1  0.38476574  0.54843493  0.07989846  1
  H  H6  1  0.88416975  0.54966979  0.41968302  1
  H  H7  1  0.61382536  0.44958853  0.92097953  1
  H  H8  1  0.18634377  0.64791248  0.46073837  1
  H  H9  1  0.31168617  0.35004366  0.96033060  1
  H  H10  1  0.81120054  0.34993868  0.53968346  1
  H  H11  1  0.68743557  0.64995390  0.04121970  1
  H  H12  1  0.38720856  0.65329517  0.30430863  1
  H  H13  1  0.11123676  0.34604871  0.80312158  1
  H  H14  1  0.60986335  0.34530445  0.69594724  1
  H  H15  1  0.88929720  0.65493536  0.19669779  1
  H  H16  1  0.50253414  0.44943253  0.27882684  1
  H  H17  1  0.99764461  0.55063127  0.77812277  1
  H  H18  1  0.49719708  0.54993254  0.72184888  1
  H  H19  1  0.00389943  0.45115375  0.22185882  1
  H  H20  1  0.52710716  0.23174285  0.34513539  1
  H  H21  1  0.97574002  0.77206100  0.84527233  1
  H  H22  1  0.47254617  0.76802959  0.65543730  1
  H  H23  1  0.02644339  0.23189829  0.15590768  1
  H  H24  1  0.50041435  0.00493406  0.37731121  1
  H  H25  1  0.99985214  0.99343761  0.87784749  1
  H  H26  1  0.49786514  0.99549927  0.62238440  1
  H  H27  1  0.00112903  0.00541771  0.12300752  1
  H  H28  1  0.33047941  0.90266614  0.45767319  1
  H  H29  1  0.16894112  0.09769982  0.95671651  1
  H  H30  1  0.66757526  0.09693267  0.54232049  1
  H  H31  1  0.83225813  0.90376652  0.04272031  1
  C  C32  1  0.19466386  0.44732097  0.51109068  1
  C  C33  1  0.30428156  0.55028904  0.01051240  1
  C  C34  1  0.80454175  0.55062830  0.48952687  1
  C  C35  1  0.69439033  0.44940889  0.99045485  1
  C  C36  1  0.23858400  0.56216393  0.44415364  1
  C  C37  1  0.25974842  0.43583202  0.94336026  1
  C  C38  1  0.75977569  0.43607684  0.55646653  1
  C  C39  1  0.73945139  0.56403518  0.05738914  1
  C  C40  1  0.35007781  0.56551868  0.35822796  1
  C  C41  1  0.14884569  0.43363409  0.85727158  1
  C  C42  1  0.64865807  0.43345278  0.64249169  1
  C  C43  1  0.85134342  0.56696655  0.14300637  1
  C  C44  1  0.41529873  0.45466316  0.34363160  1
  C  C45  1  0.08481029  0.54512910  0.84283546  1
  C  C46  1  0.58465246  0.54496370  0.65714325  1
  C  C47  1  0.91594053  0.45572427  0.15736828  1
  C  C48  1  0.36286437  0.34137657  0.41340011  1
  C  C49  1  0.13815698  0.65841502  0.91272661  1
  C  C50  1  0.63793087  0.65831749  0.58772725  1
  C  C51  1  0.86210292  0.34222022  0.08808717  1
  C  C52  1  0.42437114  0.22217834  0.40354528  1
  C  C53  1  0.07779210  0.77774854  0.90358791  1
  C  C54  1  0.57571864  0.77682038  0.59716235  1
  C  C55  1  0.92401019  0.22365320  0.09728144  1
  C  C56  1  0.43425962  -0.00112193  0.45451498  1
  C  C57  1  0.06566489  1.00094690  0.95520231  1
  C  C58  1  0.56363465  1.00067661  0.54527723  1
  C  C59  1  0.93617685  0.00004229  0.04556485  1
  N  N60  1  0.25063918  0.33604885  0.49542523  1
  N  N61  1  0.25073871  0.66281826  0.99479946  1
  N  N62  1  0.75250996  0.66393836  0.50637719  1
  N  N63  1  0.74687610  0.33628852  0.00716587  1
  N  N64  1  0.35716432  0.11352560  0.46022958  1
  N  N65  1  0.14364847  0.88670393  0.96178885  1
  N  N66  1  0.64075826  0.88606119  0.53980973  1
  N  N67  1  0.85909456  0.11493897  0.03918755  1
  N  N68  1  0.03049301  0.91807972  0.57526748  1
  N  N69  1  0.47043615  0.08251942  0.07439968  1
  N  N70  1  0.97131862  0.08430165  0.42374818  1
  N  N71  1  0.52203517  0.91259445  0.93094608  1
  N  N72  1  0.09456869  0.83521250  0.61436947  1
  N  N73  1  0.40643697  0.16529549  0.11501278  1
  N  N74  1  0.91235394  0.17146910  0.38703928  1
  N  N75  1  0.58203690  0.82699326  0.89136969  1
  N  N76  1  0.15457568  0.75161380  0.64746192  1
  N  N77  1  0.34546173  0.24784477  0.14853645  1
  N  N78  1  0.84825550  0.25219631  0.35318961  1
  N  N79  1  0.64870105  0.75006355  0.85430050  1
  N  N80  1  0.96968824  0.19981723  0.64957175  1
  N  N81  1  0.52927847  0.79928684  0.14998426  1
  N  N82  1  0.04265764  0.80468248  0.34353379  1
  N  N83  1  0.46720656  0.19747759  0.84686914  1
  N  N84  1  0.87954844  0.15667568  0.72361139  1
  N  N85  1  0.62123370  0.84199482  0.22360169  1
  N  N86  1  0.13115812  0.84128803  0.26812777  1
  N  N87  1  0.37646749  0.16038215  0.77144959  1
  N  N88  1  0.78201748  0.11380568  0.79391225  1
  N  N89  1  0.72016856  0.88280213  0.29323654  1
  N  N90  1  0.22623133  0.87849855  0.19555950  1
  N  N91  1  0.27976054  0.11861038  0.70107148  1
