# generated using pymatgen
data_MnFeCoH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.90224661
_cell_length_b   10.89665200
_cell_length_c   10.89071337
_cell_angle_alpha   89.19440966
_cell_angle_beta   89.00243038
_cell_angle_gamma   63.65553530
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFeCoH8C14(NO)6
_chemical_formula_sum   'Mn2 Fe2 Co2 H16 C28 N12 O12'
_cell_volume   1159.21959697
_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
  Fe  Fe0  1  0.89779377  0.10067626  0.24865429  1
  Fe  Fe1  1  0.10220420  0.89932637  0.75134383  1
  Co  Co2  1  0.85828434  0.98727364  -0.00689034  1
  Mn  Mn3  1  -0.00070270  0.14801477  0.50408844  1
  Co  Co4  1  0.14171682  0.01272509  1.00689002  1
  Mn  Mn5  1  1.00070033  0.85199084  0.49591176  1
  H  H6  1  0.53724237  0.16884132  0.41105054  1
  H  H7  1  0.82915125  0.46100888  0.08464717  1
  H  H8  1  0.46276073  0.83114789  0.58895221  1
  H  H9  1  0.17085340  0.53899174  0.91535005  1
  H  H10  1  0.33327372  0.15519451  0.50835633  1
  H  H11  1  0.83968582  0.66364791  0.98278345  1
  H  H12  1  0.66672370  0.84480359  0.49164588  1
  H  H13  1  0.16032302  0.33635166  0.01721453  1
  H  H14  1  0.42685076  0.07756682  0.05448678  1
  H  H15  1  0.92809405  0.57663847  0.43585728  1
  H  H16  1  0.57314766  0.92242922  0.94551544  1
  H  H17  1  0.07189788  0.42336716  0.56414320  1
  H  H18  1  0.87645159  0.21062231  0.03183554  1
  H  H19  1  0.77461991  0.11416936  0.45378468  1
  H  H20  1  0.12354949  0.78937754  0.96816240  1
  H  H21  1  0.22537863  0.88583472  0.54620979  1
  C  C22  1  0.62263944  0.12063373  0.17135094  1
  C  C23  1  0.87939519  0.38002862  0.32530704  1
  C  C24  1  0.37736286  0.87935726  0.82865073  1
  C  C25  1  0.12060098  0.61997541  0.67469101  1
  C  C26  1  0.49705900  0.11888707  0.22757269  1
  C  C27  1  0.87986543  0.50468543  0.26618705  1
  C  C28  1  0.50294313  0.88110564  0.77242991  1
  C  C29  1  0.12013213  0.49531843  0.73381177  1
  C  C30  1  0.46924090  0.14379602  0.35533851  1
  C  C31  1  0.85335142  0.53095810  0.13858373  1
  C  C32  1  0.53076044  0.85619589  0.64466390  1
  C  C33  1  0.14665096  0.46904348  0.86141414  1
  C  C34  1  0.35628735  0.13714888  0.41068760  1
  C  C35  1  0.85816524  0.64363987  0.08072795  1
  C  C36  1  0.64371209  0.86284736  0.58931561  1
  C  C37  1  0.14184089  0.35636020  0.91926980  1
  C  C38  1  0.27154162  0.10586545  0.33548645  1
  C  C39  1  0.88869578  0.73122681  0.15323475  1
  C  C40  1  0.72845571  0.89413362  0.66451541  1
  C  C41  1  0.11131054  0.26877243  0.84676398  1
  C  C42  1  0.29700045  0.08413924  0.20871119  1
  C  C43  1  0.91384602  0.70546019  0.27954568  1
  C  C44  1  0.70299854  0.91585905  0.79129211  1
  C  C45  1  0.08615272  0.29454298  0.72045418  1
  C  C46  1  0.40941942  0.09194620  0.15291958  1
  C  C47  1  0.90864578  0.59343975  0.33804392  1
  C  C48  1  0.59058117  0.90804887  0.84708191  1
  C  C49  1  0.09134915  0.40656525  0.66195566  1
  N  N50  1  0.16013148  0.08356693  0.36286112  1
  N  N51  1  0.91301659  0.84273362  0.12626984  1
  N  N52  1  0.83986162  0.91643869  0.63713783  1
  N  N53  1  0.08699490  0.15726219  0.87372811  1
  N  N54  1  0.12347449  0.04179022  0.26168311  1
  N  N55  1  0.95981179  0.87607639  0.22697121  1
  N  N56  1  0.87651840  0.95821749  0.73831444  1
  N  N57  1  0.04019252  0.12392370  0.77302856  1
  N  N58  1  0.19852352  0.04928890  0.16547835  1
  N  N59  1  0.95336111  0.80020821  0.32145227  1
  N  N60  1  0.80147388  0.95071470  0.83452100  1
  N  N61  1  0.04663592  0.19979613  0.67854849  1
  O  O62  1  0.92556282  0.11684841  0.06180143  1
  O  O63  1  0.87283248  0.06909972  0.43733007  1
  O  O64  1  0.07443769  0.88315131  0.93819599  1
  O  O65  1  0.12716704  0.93090449  0.56266937  1
  O  O66  1  0.69166288  0.15608125  0.24317707  1
  O  O67  1  0.84520130  0.30757136  0.25676020  1
  O  O68  1  0.30833784  0.84391344  0.75682549  1
  O  O69  1  0.15479600  0.69243204  0.74323775  1
  O  O70  1  0.65132585  0.08522156  0.05931203  1
  O  O71  1  0.91628041  0.35346976  0.43740770  1
  O  O72  1  0.34868064  0.91476636  0.94069146  1
  O  O73  1  0.08371427  0.64653460  0.56259104  1
