# generated using pymatgen
data_MnNi2H8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.88524482
_cell_length_b   10.87987792
_cell_length_c   10.86003765
_cell_angle_alpha   89.21947677
_cell_angle_beta   89.01532081
_cell_angle_gamma   63.70237884
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNi2H8C14(NO)6
_chemical_formula_sum   'Mn2 Ni4 H16 C28 N12 O12'
_cell_volume   1152.84863400
_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  0.89668700  0.10366665  0.25014793  1
  Mn  Mn1  1  0.10330937  0.89633773  0.74984948  1
  Ni  Ni2  1  0.85935893  0.98233348  -0.00629738  1
  Ni  Ni3  1  0.01784552  0.14057679  0.50635415  1
  Ni  Ni4  1  0.14064163  0.01766571  1.00629700  1
  Ni  Ni5  1  0.98214958  0.85942829  0.49364544  1
  H  H6  1  0.53770882  0.16712273  0.41225088  1
  H  H7  1  0.83170741  0.46272126  0.08878827  1
  H  H8  1  0.46229460  0.83286667  0.58775288  1
  H  H9  1  0.16829691  0.53727888  0.91120875  1
  H  H10  1  0.33299248  0.15618559  0.51071306  1
  H  H11  1  0.84196267  0.66738169  0.99000388  1
  H  H12  1  0.66700571  0.84381272  0.48928898  1
  H  H13  1  0.15804516  0.33261784  0.00999351  1
  H  H14  1  0.42488429  0.07465170  0.05589843  1
  H  H15  1  0.92869143  0.57524799  0.44355309  1
  H  H16  1  0.57511668  0.92534392  0.94410314  1
  H  H17  1  0.07130019  0.42475777  0.55644692  1
  H  H18  1  0.87583682  0.20907600  0.03015119  1
  H  H19  1  0.79108973  0.12413366  0.47030421  1
  H  H20  1  0.12416520  0.79092406  0.96983981  1
  H  H21  1  0.20890735  0.87587095  0.52969595  1
  C  C22  1  0.62339461  0.11851532  0.17316694  1
  C  C23  1  0.88210577  0.37702591  0.32737819  1
  C  C24  1  0.37660770  0.88147620  0.82683657  1
  C  C25  1  0.11789006  0.62297856  0.67262108  1
  C  C26  1  0.49661712  0.11771771  0.22876132  1
  C  C27  1  0.88301960  0.50358239  0.27158784  1
  C  C28  1  0.50338416  0.88227541  0.77124111  1
  C  C29  1  0.11697789  0.49642095  0.72841098  1
  C  C30  1  0.46853023  0.14323232  0.35667483  1
  C  C31  1  0.85627171  0.53180498  0.14402162  1
  C  C32  1  0.53147224  0.85675958  0.64332798  1
  C  C33  1  0.14373062  0.46819603  0.85597617  1
  C  C34  1  0.35495188  0.13811976  0.41264943  1
  C  C35  1  0.86096366  0.64537872  0.08781748  1
  C  C36  1  0.64504848  0.86187648  0.58735308  1
  C  C37  1  0.13904166  0.35462101  0.91218028  1
  C  C38  1  0.26852110  0.10806331  0.33816815  1
  C  C39  1  0.89198395  0.73175758  0.16171702  1
  C  C40  1  0.73147809  0.89193553  0.66183368  1
  C  C41  1  0.10802193  0.26824156  0.83828079  1
  C  C42  1  0.29500117  0.08472264  0.21119186  1
  C  C43  1  0.91694353  0.70484273  0.28826415  1
  C  C44  1  0.70499880  0.91527441  0.78881007  1
  C  C45  1  0.08305625  0.29515942  0.71173448  1
  C  C46  1  0.40808693  0.09061137  0.15453556  1
  C  C47  1  0.91137497  0.59190250  0.34519124  1
  C  C48  1  0.59191408  0.90938285  0.84546615  1
  C  C49  1  0.08862001  0.40810204  0.65480819  1
  N  N50  1  0.15609693  0.08634121  0.36508109  1
  N  N51  1  0.91326808  0.84443985  0.13474112  1
  N  N52  1  0.84389912  0.91366298  0.63491935  1
  N  N53  1  0.08674193  0.15555712  0.86525630  1
  N  N54  1  0.12236224  0.04146969  0.26356981  1
  N  N55  1  0.95986352  0.87753854  0.23554499  1
  N  N56  1  0.87763300  0.95853548  0.73643026  1
  N  N57  1  0.04014002  0.12246189  0.76445469  1
  N  N58  1  0.19658571  0.04998401  0.16778703  1
  N  N59  1  0.95235622  0.80303802  0.33133008  1
  N  N60  1  0.80341142  0.95001843  0.83221344  1
  N  N61  1  0.04764353  0.19696411  0.66866909  1
  O  O62  1  0.92665403  0.11434762  0.05764014  1
  O  O63  1  0.88587337  0.07329492  0.44261034  1
  O  O64  1  0.07334574  0.88565407  0.94235604  1
  O  O65  1  0.11412378  0.92670959  0.55738981  1
  O  O66  1  0.68978417  0.15705461  0.24567265  1
  O  O67  1  0.84262262  0.31085003  0.25540794  1
  O  O68  1  0.31021561  0.84294058  0.75433060  1
  O  O69  1  0.15737458  0.68915431  0.74459008  1
  O  O70  1  0.65555349  0.07980481  0.06213219  1
  O  O71  1  0.92150459  0.34486567  0.43799296  1
  O  O72  1  0.34445126  0.92018632  0.93787182  1
  O  O73  1  0.07848985  0.65513960  0.56200678  1
