# generated using pymatgen
data_Mn2CrFeH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11846926
_cell_length_b   10.13731636
_cell_length_c   12.55720755
_cell_angle_alpha   90.03256821
_cell_angle_beta   89.98512327
_cell_angle_gamma   106.44762665
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CrFeH28(C7N8)4
_chemical_formula_sum   'Mn2 Cr1 Fe1 H28 C28 N32'
_cell_volume   991.16169508
_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  0.15233510  0.12821367  0.55365756  1
  Fe  Fe1  1  0.33619456  0.87365167  0.05717847  1
  Mn  Mn2  1  0.83807461  0.86809936  0.44474135  1
  Mn  Mn3  1  0.65926578  0.13214282  0.94864709  1
  H  H4  1  0.11289882  0.44969981  0.58144618  1
  H  H5  1  0.38535815  0.54868687  0.08096076  1
  H  H6  1  0.88406032  0.54988194  0.41883811  1
  H  H7  1  0.61352672  0.44849637  0.92005476  1
  H  H8  1  0.18517634  0.64748749  0.46080463  1
  H  H9  1  0.31210213  0.35055118  0.96081501  1
  H  H10  1  0.81204013  0.35034772  0.53934941  1
  H  H11  1  0.68624557  0.64881585  0.04010259  1
  H  H12  1  0.38601155  0.65157479  0.30465469  1
  H  H13  1  0.11146465  0.34645550  0.80492947  1
  H  H14  1  0.61194371  0.34600971  0.69554361  1
  H  H15  1  0.88856667  0.65428595  0.19567967  1
  H  H16  1  0.50047991  0.44845879  0.27922018  1
  H  H17  1  0.99930185  0.55190662  0.77882760  1
  H  H18  1  0.49938893  0.55080859  0.72223711  1
  H  H19  1  0.00295875  0.45086619  0.22135607  1
  H  H20  1  0.52669658  0.22907120  0.34686055  1
  H  H21  1  0.97415466  0.77124147  0.84799636  1
  H  H22  1  0.47260636  0.76780968  0.65466604  1
  H  H23  1  0.02901273  0.23239452  0.15390021  1
  H  H24  1  0.49733604  0.00221407  0.37697542  1
  H  H25  1  1.00294196  0.99610848  0.87830697  1
  H  H26  1  0.49987289  0.99651844  0.62199364  1
  H  H27  1  -0.00164031  0.00326289  0.12337036  1
  H  H28  1  0.32991179  0.89930355  0.45824161  1
  H  H29  1  0.16983402  0.09923109  0.95960633  1
  H  H30  1  0.66685368  0.09748491  0.53989546  1
  H  H31  1  0.83166703  0.90221326  0.04095082  1
  C  C32  1  0.19358316  0.44770497  0.51216933  1
  C  C33  1  0.30547648  0.55092746  0.01140925  1
  C  C34  1  0.80539971  0.55089454  0.48915295  1
  C  C35  1  0.69292108  0.44810782  0.99007234  1
  C  C36  1  0.23761761  0.56168405  0.44486421  1
  C  C37  1  0.26079811  0.43674168  0.94419215  1
  C  C38  1  0.76107502  0.43665680  0.55630968  1
  C  C39  1  0.73795844  0.56284113  0.05674369  1
  C  C40  1  0.34887642  0.56419235  0.35881136  1
  C  C41  1  0.14984501  0.43473927  0.85816394  1
  C  C42  1  0.65044981  0.43441423  0.64252914  1
  C  C43  1  0.84978900  0.56590728  0.14248849  1
  C  C44  1  0.41380201  0.45314906  0.34443700  1
  C  C45  1  0.08623994  0.54634431  0.84365489  1
  C  C46  1  0.58666844  0.54595737  0.65741702  1
  C  C47  1  0.91452129  0.45481405  0.15701194  1
  C  C48  1  0.36140639  0.33986221  0.41411335  1
  C  C49  1  0.13977329  0.65949786  0.91364353  1
  C  C50  1  0.63977853  0.65914526  0.58785335  1
  C  C51  1  0.86070780  0.34095081  0.08811676  1
  C  C52  1  0.42229899  0.22086982  0.40415707  1
  C  C53  1  0.07852886  0.77838011  0.90483013  1
  C  C54  1  0.57672318  0.77714667  0.59697482  1
  C  C55  1  0.92387599  0.22306525  0.09701834  1
  C  C56  1  0.43251852  -0.00362420  0.45456120  1
  C  C57  1  0.06704929  1.00230215  0.95614931  1
  C  C58  1  0.56365974  1.00093025  0.54427074  1
  C  C59  1  0.93523346  -0.00146568  0.04539968  1
  N  N60  1  0.24803179  0.33502293  0.49642719  1
  N  N61  1  0.25253397  0.66379124  0.99554381  1
  N  N62  1  0.75411510  0.66448886  0.50644172  1
  N  N63  1  0.74468951  0.33462862  0.00755383  1
  N  N64  1  0.35301776  0.11004883  0.45971377  1
  N  N65  1  0.14608188  0.88846535  0.96153674  1
  N  N66  1  0.64213411  0.88695991  0.54017052  1
  N  N67  1  0.85722051  0.11287406  0.04072839  1
  N  N68  1  0.03672450  0.92236003  0.57686013  1
  N  N69  1  0.46920056  0.08196038  0.07687385  1
  N  N70  1  0.98370878  0.09127642  0.42836137  1
  N  N71  1  0.52281247  0.91477558  0.92926468  1
  N  N72  1  0.09691038  0.83711595  0.61673641  1
  N  N73  1  0.40407172  0.16444186  0.11682186  1
  N  N74  1  0.91805811  0.17290221  0.38776589  1
  N  N75  1  0.58356943  0.82903724  0.89060971  1
  N  N76  1  0.15528374  0.75291336  0.64941114  1
  N  N77  1  0.34112749  0.24595390  0.14997721  1
  N  N78  1  0.84750402  0.24790067  0.35222541  1
  N  N79  1  0.65015986  0.75145827  0.85455783  1
  N  N80  1  0.96603109  0.19259559  0.64610875  1
  N  N81  1  0.52980535  0.80128451  0.14938321  1
  N  N82  1  0.04648017  0.80696311  0.34354064  1
  N  N83  1  0.45593440  0.19115124  0.84575156  1
  N  N84  1  0.87834818  0.15329295  0.72241905  1
  N  N85  1  0.62041217  0.84376552  0.22351260  1
  N  N86  1  0.13013625  0.84056633  0.26571504  1
  N  N87  1  0.37286094  0.16031041  0.76768645  1
  N  N88  1  0.78614740  0.11880214  0.79564432  1
  N  N89  1  0.71759336  0.88321696  0.29424586  1
  N  N90  1  0.22389610  0.87385103  0.19217193  1
  N  N91  1  0.29218869  0.14040952  0.68792819  1
