# generated using pymatgen
data_Mn3H8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.05908234
_cell_length_b   11.05156958
_cell_length_c   11.04495756
_cell_angle_alpha   88.99316216
_cell_angle_beta   88.79141580
_cell_angle_gamma   62.93686259
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3H8C14(NO)6
_chemical_formula_sum   'Mn6 H16 C28 N12 O12'
_cell_volume   1201.79324928
_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  0.89463721  0.10544517  0.25007373  1
  Mn  Mn1  1  0.10536257  0.89455685  0.74992525  1
  Mn  Mn2  1  0.85016175  1.00277107  -0.00965393  1
  Mn  Mn3  1  -0.00319166  0.15011044  0.50971405  1
  Mn  Mn4  1  0.14983961  -0.00276994  1.00965418  1
  Mn  Mn5  1  1.00318796  0.84989326  0.49028541  1
  H  H6  1  0.53711267  0.18099349  0.39994564  1
  H  H7  1  0.81780087  0.46315109  0.10113068  1
  H  H8  1  0.46289004  0.81899842  0.60005829  1
  H  H9  1  0.18220258  0.53684865  0.89886682  1
  H  H10  1  0.34226289  0.16617702  0.50767832  1
  H  H11  1  0.83144766  0.65835081  0.99339378  1
  H  H12  1  0.65773770  0.83382075  0.49232156  1
  H  H13  1  0.16856364  0.34164397  0.00660231  1
  H  H14  1  0.42298871  0.06948312  0.06136836  1
  H  H15  1  0.93448818  0.57573683  0.43784583  1
  H  H16  1  0.57701770  0.93051022  0.93863249  1
  H  H17  1  0.06550082  0.42427059  0.56215401  1
  H  H18  1  0.90396803  0.21336786  0.03347086  1
  H  H19  1  0.78776904  0.09423403  0.46830027  1
  H  H20  1  0.09602373  0.78663744  0.96653160  1
  H  H21  1  0.21222807  0.90576797  0.53169882  1
  C  C22  1  0.61972818  0.11869189  0.16482664  1
  C  C23  1  0.88194620  0.38017997  0.33531630  1
  C  C24  1  0.38027498  0.88130299  0.83517529  1
  C  C25  1  0.11805046  0.61982384  0.66468553  1
  C  C26  1  0.49602700  0.12110997  0.22506411  1
  C  C27  1  0.87994031  0.50358183  0.27509385  1
  C  C28  1  0.50397602  0.87888464  0.77493851  1
  C  C29  1  0.12005670  0.49641940  0.72490481  1
  C  C30  1  0.46996420  0.15229548  0.35025551  1
  C  C31  1  0.84724863  0.53009261  0.15043237  1
  C  C32  1  0.53004002  0.84769939  0.64974570  1
  C  C33  1  0.15275372  0.46990781  0.84956610  1
  C  C34  1  0.36174939  0.14515060  0.41133290  1
  C  C35  1  0.85358331  0.63861753  0.08938683  1
  C  C36  1  0.63825058  0.85484720  0.58866922  1
  C  C37  1  0.14642345  0.36137977  0.91060976  1
  C  C38  1  0.27809675  0.10813551  0.34444070  1
  C  C39  1  0.89143428  0.72209715  0.15582835  1
  C  C40  1  0.72190300  0.89186512  0.65555980  1
  C  C41  1  0.10857155  0.27790064  0.84416934  1
  C  C42  1  0.30236098  0.07985367  0.21991287  1
  C  C43  1  0.92257688  0.69656416  0.27958173  1
  C  C44  1  0.69763940  0.92014451  0.78008827  1
  C  C45  1  0.07742031  0.30343835  0.72041639  1
  C  C46  1  0.40880910  0.08893670  0.15801475  1
  C  C47  1  0.91390960  0.59007941  0.34154505  1
  C  C48  1  0.59119210  0.91105820  0.84198875  1
  C  C49  1  0.08608401  0.40992418  0.65845442  1
  N  N50  1  0.17116626  0.08215459  0.37717106  1
  N  N51  1  0.91571049  0.83007726  0.12317894  1
  N  N52  1  0.82882940  0.91785115  0.62282836  1
  N  N53  1  0.08430036  0.16991753  0.87681792  1
  N  N54  1  0.13165265  0.04148740  0.27909489  1
  N  N55  1  0.95919762  0.86824230  0.22028267  1
  N  N56  1  0.86834410  0.95851650  0.72090543  1
  N  N57  1  0.04080425  0.13175722  0.77971629  1
  N  N58  1  0.20935068  0.03779802  0.18372757  1
  N  N59  1  0.96560562  0.78918703  0.31514303  1
  N  N60  1  0.79064813  0.96220200  0.81627331  1
  N  N61  1  0.03439085  0.21081583  0.68485729  1
  O  O62  1  0.93592618  0.12061020  0.06345995  1
  O  O63  1  0.87976635  0.06374943  0.43649407  1
  O  O64  1  0.06407364  0.87939215  0.93653740  1
  O  O65  1  0.12023021  0.93625353  0.56350477  1
  O  O66  1  0.68866491  0.15923285  0.22764904  1
  O  O67  1  0.83949654  0.31207153  0.27341953  1
  O  O68  1  0.31133535  0.84076353  0.77235042  1
  O  O69  1  0.16049788  0.68793463  0.72657919  1
  O  O70  1  0.64948876  0.07317343  0.05672752  1
  O  O71  1  0.92898055  0.34979910  0.44264011  1
  O  O72  1  0.35051610  0.92681905  0.94327452  1
  O  O73  1  0.07101268  0.65020497  0.55735891  1
