# generated using pymatgen
data_MnCrNiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.91806542
_cell_length_b   10.90230531
_cell_length_c   10.94718528
_cell_angle_alpha   88.82420414
_cell_angle_beta   88.72999286
_cell_angle_gamma   63.51085593
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCrNiH8C14(NO)6
_chemical_formula_sum   'Mn2 Cr2 Ni2 H16 C28 N12 O12'
_cell_volume   1165.90007493
_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
  Ni  Ni0  1  0.90754469  0.09039176  0.24582056  1
  Ni  Ni1  1  0.09245581  0.90961007  0.75417919  1
  Mn  Mn2  1  0.85082878  0.99747923  -0.00752080  1
  Cr  Cr3  1  0.00501007  0.14405518  0.51225559  1
  Mn  Mn4  1  0.14917240  0.00252003  1.00752107  1
  Cr  Cr5  1  0.99498370  0.85594895  0.48774227  1
  H  H6  1  0.53659868  0.17532551  0.41623410  1
  H  H7  1  0.82837662  0.45102154  0.09898844  1
  H  H8  1  0.46340513  0.82466723  0.58376759  1
  H  H9  1  0.17162766  0.54897856  0.90100941  1
  H  H10  1  0.33422160  0.16299355  0.51759882  1
  H  H11  1  0.84307667  0.65073589  0.99473696  1
  H  H12  1  0.66577929  0.83700258  0.48240241  1
  H  H13  1  0.15693358  0.34926162  0.00526116  1
  H  H14  1  0.42611489  0.07282338  0.06771489  1
  H  H15  1  0.91684318  0.57445925  0.44823604  1
  H  H16  1  0.57388770  0.92717226  0.93228626  1
  H  H17  1  0.08314632  0.42554721  0.55176547  1
  H  H18  1  0.89139232  0.21672231  0.05008864  1
  H  H19  1  0.79582795  0.10090262  0.44461779  1
  H  H20  1  0.10860582  0.78327827  0.94990899  1
  H  H21  1  0.20416433  0.89910099  0.55537611  1
  C  C22  1  0.62619434  0.11443538  0.17955749  1
  C  C23  1  0.88226549  0.36701043  0.33447559  1
  C  C24  1  0.37380741  0.88556020  0.82044316  1
  C  C25  1  0.11773087  0.63299282  0.66552283  1
  C  C26  1  0.49792206  0.11928570  0.23667554  1
  C  C27  1  0.87926999  0.49473843  0.27883975  1
  C  C28  1  0.50207970  0.88070976  0.76332540  1
  C  C29  1  0.12072844  0.50526396  0.72115961  1
  C  C30  1  0.46860027  0.14895896  0.36286836  1
  C  C31  1  0.85355173  0.52047138  0.15157067  1
  C  C32  1  0.53140217  0.85103600  0.63713328  1
  C  C33  1  0.14645151  0.47952924  0.84842788  1
  C  C34  1  0.35575418  0.14338174  0.42041230  1
  C  C35  1  0.86065873  0.63123279  0.09222413  1
  C  C36  1  0.64424746  0.85661481  0.57958870  1
  C  C37  1  0.13934808  0.36876579  0.90777456  1
  C  C38  1  0.27163150  0.10819587  0.34939131  1
  C  C39  1  0.89216292  0.71848532  0.16295611  1
  C  C40  1  0.72836897  0.89180285  0.65060916  1
  C  C41  1  0.10784317  0.28151306  0.83704343  1
  C  C42  1  0.29971572  0.08006964  0.22440662  1
  C  C43  1  0.90955840  0.69838111  0.28989617  1
  C  C44  1  0.70028417  0.91992918  0.77559393  1
  C  C45  1  0.09043930  0.30162104  0.71010450  1
  C  C46  1  0.40972146  0.08995492  0.16537821  1
  C  C47  1  0.90315850  0.58732059  0.35006772  1
  C  C48  1  0.59027995  0.91004155  0.83462325  1
  C  C49  1  0.09683718  0.41268263  0.64993265  1
  N  N50  1  0.16109511  0.08275953  0.37737213  1
  N  N51  1  0.91722927  0.82780726  0.13088997  1
  N  N52  1  0.83890338  0.91724225  0.62262848  1
  N  N53  1  0.08278138  0.17218831  0.86911029  1
  N  N54  1  0.12502922  0.03942859  0.27642045  1
  N  N55  1  0.94952500  0.87332246  0.23058132  1
  N  N56  1  0.87496766  0.96057521  0.72358016  1
  N  N57  1  0.05047769  0.12667710  0.76942059  1
  N  N58  1  0.20783041  0.03614192  0.18423773  1
  N  N59  1  0.93925188  0.80081891  0.32934344  1
  N  N60  1  0.79216602  0.96386106  0.81576243  1
  N  N61  1  0.06074442  0.19918351  0.67065775  1
  O  O62  1  0.93442094  0.11835411  0.06634009  1
  O  O63  1  0.89445695  0.05882734  0.42828886  1
  O  O64  1  0.06557923  0.88164633  0.93365908  1
  O  O65  1  0.10553560  0.94117651  0.57170944  1
  O  O66  1  0.70245179  0.14220814  0.24850211  1
  O  O67  1  0.85134032  0.29375309  0.26584542  1
  O  O68  1  0.29754785  0.85779108  0.75149735  1
  O  O69  1  0.14865744  0.70624974  0.73415310  1
  O  O70  1  0.65144525  0.07914386  0.06752921  1
  O  O71  1  0.91722195  0.33872363  0.44762352  1
  O  O72  1  0.34855771  0.92084913  0.93247272  1
  O  O73  1  0.08277320  0.66128051  0.55237548  1
