# generated using pymatgen
data_FeCoNiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.87018072
_cell_length_b   10.86567761
_cell_length_c   10.85490745
_cell_angle_alpha   89.25319088
_cell_angle_beta   89.04191507
_cell_angle_gamma   63.76406187
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCoNiH8C14(NO)6
_chemical_formula_sum   'Fe2 Co2 Ni2 H16 C28 N12 O12'
_cell_volume   1149.83033261
_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  0.90028987  0.10028645  0.25151913  1
  Ni  Ni1  1  0.09970919  0.89971720  0.74847875  1
  Fe  Fe2  1  0.85564001  0.99553933  -0.00524323  1
  Co  Co3  1  0.01191187  0.14352117  0.50517057  1
  Fe  Fe4  1  0.14436118  0.00445673  1.00524248  1
  Co  Co5  1  0.98808466  0.85648326  0.49483011  1
  H  H6  1  0.53761408  0.16771977  0.41437050  1
  H  H7  1  0.83117014  0.46332891  0.08721679  1
  H  H8  1  0.46238803  0.83226962  0.58563362  1
  H  H9  1  0.16883513  0.53667272  0.91277977  1
  H  H10  1  0.33314223  0.15517978  0.51325311  1
  H  H11  1  0.84323111  0.66822222  0.98903454  1
  H  H12  1  0.66685336  0.84481914  0.48674761  1
  H  H13  1  0.15677586  0.33177955  0.01096459  1
  H  H14  1  0.42538779  0.07364195  0.05811309  1
  H  H15  1  0.92983227  0.57361640  0.44254105  1
  H  H16  1  0.57461509  0.92635503  0.94188834  1
  H  H17  1  0.07015985  0.42638894  0.55745967  1
  H  H18  1  0.87847784  0.21273488  0.04693718  1
  H  H19  1  0.79125392  0.12249919  0.45547602  1
  H  H20  1  0.12152217  0.78726604  0.95306106  1
  H  H21  1  0.20874377  0.87750515  0.54452119  1
  C  C22  1  0.62469479  0.11727388  0.17552645  1
  C  C23  1  0.88358957  0.37526388  0.32550563  1
  C  C24  1  0.37530881  0.88271480  0.82447651  1
  C  C25  1  0.11640644  0.62474088  0.67449205  1
  C  C26  1  0.49713358  0.11770731  0.23095465  1
  C  C27  1  0.88361422  0.50269487  0.27022316  1
  C  C28  1  0.50286956  0.88228428  0.76904876  1
  C  C29  1  0.11638458  0.49730967  0.72977518  1
  C  C30  1  0.46848796  0.14363276  0.35871712  1
  C  C31  1  0.85628512  0.53182544  0.14285888  1
  C  C32  1  0.53151264  0.85635947  0.64128658  1
  C  C33  1  0.14371807  0.46817721  0.85713875  1
  C  C34  1  0.35492681  0.13779504  0.41501469  1
  C  C35  1  0.86184526  0.64544518  0.08696414  1
  C  C36  1  0.64507039  0.86220140  0.58498636  1
  C  C37  1  0.13816015  0.35455673  0.91303480  1
  C  C38  1  0.26851130  0.10751399  0.34064224  1
  C  C39  1  0.89390300  0.73064165  0.16177231  1
  C  C40  1  0.73148627  0.89248413  0.65935678  1
  C  C41  1  0.10610128  0.26936041  0.83822752  1
  C  C42  1  0.29512887  0.08466782  0.21385040  1
  C  C43  1  0.91802323  0.70432020  0.28824300  1
  C  C44  1  0.70487139  0.91532936  0.78614933  1
  C  C45  1  0.08197396  0.29568434  0.71175746  1
  C  C46  1  0.40827183  0.09051045  0.15672369  1
  C  C47  1  0.91202446  0.59091273  0.34436222  1
  C  C48  1  0.59173095  0.90948431  0.84327804  1
  C  C49  1  0.08797142  0.40909264  0.65563784  1
  N  N50  1  0.15295238  0.08929598  0.36631393  1
  N  N51  1  0.91173635  0.84568658  0.13598245  1
  N  N52  1  0.84704141  0.91070877  0.63368431  1
  N  N53  1  0.08827902  0.15430938  0.86401678  1
  N  N54  1  0.11151538  0.05546892  0.26319237  1
  N  N55  1  0.94642296  0.88745388  0.23904371  1
  N  N56  1  0.88847808  0.94453752  0.73680586  1
  N  N57  1  0.05358256  0.11254632  0.76095757  1
  N  N58  1  0.19333001  0.05523184  0.16947566  1
  N  N59  1  0.94833897  0.80604930  0.33295145  1
  N  N60  1  0.80666604  0.94477225  0.83052272  1
  N  N61  1  0.05165870  0.19395364  0.66705073  1
  O  O62  1  0.93131187  0.11566694  0.06545432  1
  O  O63  1  0.88815476  0.07141922  0.43429462  1
  O  O64  1  0.06868873  0.88433382  0.93454259  1
  O  O65  1  0.11184322  0.92858534  0.56570393  1
  O  O66  1  0.69640380  0.14925165  0.24785014  1
  O  O67  1  0.85145754  0.30346018  0.25315758  1
  O  O68  1  0.30359598  0.85074325  0.75215087  1
  O  O69  1  0.14853947  0.69654394  0.74684029  1
  O  O70  1  0.65186446  0.08361260  0.06242627  1
  O  O71  1  0.91617165  0.34950341  0.43863973  1
  O  O72  1  0.34813995  0.91636969  0.93757776  1
  O  O73  1  0.08382193  0.65050010  0.56135831  1
