# generated using pymatgen
data_MnFeNiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.92489499
_cell_length_b   10.91735548
_cell_length_c   10.89355844
_cell_angle_alpha   89.16216524
_cell_angle_beta   88.94552028
_cell_angle_gamma   63.52868189
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFeNiH8C14(NO)6
_chemical_formula_sum   'Mn2 Fe2 Ni2 H16 C28 N12 O12'
_cell_volume   1162.83815937
_cell_formula_units_Z   2
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  0.89608300  0.10567500  0.25291932  1
  Mn  Mn1  1  0.10391513  0.89432922  0.74707897  1
  Fe  Fe2  1  0.85791717  0.98943495  -0.00357386  1
  Ni  Ni3  1  0.01879807  0.13962599  0.50674321  1
  Fe  Fe4  1  0.14208523  0.01056203  1.00357319  1
  Ni  Ni5  1  0.98119498  0.86038037  0.49325692  1
  H  H6  1  0.53781187  0.16901502  0.41183412  1
  H  H7  1  0.83068723  0.46122327  0.09477442  1
  H  H8  1  0.46219224  0.83097508  0.58816990  1
  H  H9  1  0.16931527  0.53877800  0.90522218  1
  H  H10  1  0.33398070  0.15902864  0.51214700  1
  H  H11  1  0.84158892  0.66445284  0.99397942  1
  H  H12  1  0.66601864  0.84096812  0.48785453  1
  H  H13  1  0.15842072  0.33554508  0.00601739  1
  H  H14  1  0.42367954  0.07542626  0.05847996  1
  H  H15  1  0.92578980  0.57666553  0.44720255  1
  H  H16  1  0.57632358  0.92456766  0.94152247  1
  H  H17  1  0.07419909  0.42334091  0.55279751  1
  H  H18  1  0.88519049  0.21213781  0.02699775  1
  H  H19  1  0.79449746  0.12356200  0.47839216  1
  H  H20  1  0.11480922  0.78786043  0.97299809  1
  H  H21  1  0.20550095  0.87644366  0.52160619  1
  C  C22  1  0.62124302  0.11896150  0.17294858  1
  C  C23  1  0.88212895  0.37738933  0.33183760  1
  C  C24  1  0.37875985  0.88103035  0.82705374  1
  C  C25  1  0.11786622  0.62261443  0.66816127  1
  C  C26  1  0.49460059  0.12094228  0.22947838  1
  C  C27  1  0.88128166  0.50433050  0.27623444  1
  C  C28  1  0.50540255  0.87905093  0.77052460  1
  C  C29  1  0.11871597  0.49567250  0.72376415  1
  C  C30  1  0.46739071  0.14682676  0.35712460  1
  C  C31  1  0.85439643  0.53098391  0.14903309  1
  C  C32  1  0.53261207  0.85316642  0.64287859  1
  C  C33  1  0.14560613  0.46901689  0.85096437  1
  C  C34  1  0.35494983  0.14112613  0.41419204  1
  C  C35  1  0.86016013  0.64297132  0.09164620  1
  C  C36  1  0.64505069  0.85887042  0.58580965  1
  C  C37  1  0.13984596  0.35702766  0.90835110  1
  C  C38  1  0.26988932  0.10820191  0.34126533  1
  C  C39  1  0.89348297  0.72747805  0.16469457  1
  C  C40  1  0.73010910  0.89179854  0.65873589  1
  C  C41  1  0.10652249  0.27252104  0.83530322  1
  C  C42  1  0.29677115  0.08308381  0.21503675  1
  C  C43  1  0.91898296  0.70275691  0.29086243  1
  C  C44  1  0.70322864  0.91691503  0.78496448  1
  C  C45  1  0.08101842  0.29724415  0.70913616  1
  C  C46  1  0.40665419  0.09254726  0.15669845  1
  C  C47  1  0.90968622  0.59260505  0.34902398  1
  C  C48  1  0.59334827  0.90744775  0.84330396  1
  C  C49  1  0.09030945  0.40739889  0.65097503  1
  N  N50  1  0.16082995  0.08129457  0.36939430  1
  N  N51  1  0.91809377  0.83727644  0.13501035  1
  N  N52  1  0.83916534  0.91871080  0.63060567  1
  N  N53  1  0.08191180  0.16272241  0.86498827  1
  N  N54  1  0.12918020  0.03283539  0.26937505  1
  N  N55  1  0.96428521  0.87284625  0.23426024  1
  N  N56  1  0.87081318  0.96717257  0.73062469  1
  N  N57  1  0.03571679  0.12715497  0.76573953  1
  N  N58  1  0.20504831  0.03860829  0.17438141  1
  N  N59  1  0.95841127  0.79913587  0.33090195  1
  N  N60  1  0.79494879  0.96139536  0.82561872  1
  N  N61  1  0.04158760  0.20086666  0.66909787  1
  O  O62  1  0.93050455  0.11879090  0.05809689  1
  O  O63  1  0.88587423  0.07399233  0.44291117  1
  O  O64  1  0.06949676  0.88120814  0.94190014  1
  O  O65  1  0.11412418  0.92601161  0.55708714  1
  O  O66  1  0.68859657  0.15863958  0.24200106  1
  O  O67  1  0.84013168  0.31258340  0.26168620  1
  O  O68  1  0.31140485  0.84135633  0.75800142  1
  O  O69  1  0.15986250  0.68742149  0.73831244  1
  O  O70  1  0.65429649  0.07513174  0.06318082  1
  O  O71  1  0.92622413  0.34290246  0.44065549  1
  O  O72  1  0.34570870  0.92485716  0.93682380  1
  O  O73  1  0.07377037  0.65710039  0.55934368  1
