# generated using pymatgen
data_FeNiH24C20(N3O4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.32800951
_cell_length_b   11.84919313
_cell_length_c   13.33170804
_cell_angle_alpha   116.03006127
_cell_angle_beta   86.95053890
_cell_angle_gamma   90.01890291
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNiH24C20(N3O4)4
_chemical_formula_sum   'Fe1 Ni1 H24 C20 N12 O16'
_cell_volume   1038.36790495
_cell_formula_units_Z   1
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  0.49997769  0.50004161  0.50002948  1
  Fe  Fe1  1  0.99899143  1.00010629  0.50033076  1
  H  H2  1  0.44930672  0.28978007  0.57838175  1
  H  H3  1  0.05273027  0.70825325  0.41997025  1
  H  H4  1  0.55082394  0.71020570  0.42158535  1
  H  H5  1  0.95114712  0.29181647  0.57968005  1
  H  H6  1  0.45388196  0.26563480  0.75166531  1
  H  H7  1  0.04332332  0.51158466  0.24804496  1
  H  H8  1  0.54608515  0.73433279  0.24828892  1
  H  H9  1  0.95437685  0.48828275  0.75207841  1
  H  H10  1  0.53660973  0.66590433  0.92884594  1
  H  H11  1  0.96086488  0.73420913  0.06804161  1
  H  H12  1  0.46333425  0.33408086  0.07118598  1
  H  H13  1  0.03818281  0.26580254  0.93215089  1
  H  H14  1  0.52965555  0.67524982  0.74767033  1
  H  H15  1  0.97264912  0.92441904  0.24823343  1
  H  H16  1  0.47026234  0.32477981  0.25238563  1
  H  H17  1  0.03170090  0.07566577  0.75151130  1
  H  H18  1  0.39304562  0.74660242  0.59485579  1
  H  H19  1  0.10721300  0.15367907  0.40307487  1
  H  H20  1  0.60655056  0.25353440  0.40516432  1
  H  H21  1  0.89178761  0.84604538  0.59676234  1
  H  H22  1  0.21222885  0.67117046  0.59299750  1
  H  H23  1  0.28768297  0.07882399  0.40310787  1
  H  H24  1  0.78761273  0.32885321  0.40705642  1
  H  H25  1  0.71035609  0.92011798  0.59664304  1
  C  C26  1  0.46973751  0.37234536  0.65650061  1
  C  C27  1  0.03164438  0.71271815  0.34149417  1
  C  C28  1  0.53031328  0.62764505  0.34348447  1
  C  C29  1  0.97059389  0.28731123  0.65831007  1
  C  C30  1  0.47029826  0.35760625  0.75364391  1
  C  C31  1  0.02838210  0.60137245  0.24544472  1
  C  C32  1  0.52967889  0.64237537  0.24633989  1
  C  C33  1  0.97109258  0.39857382  0.75460310  1
  C  C34  1  0.49278010  0.46376986  0.85495661  1
  C  C35  1  0.00521704  0.60715388  0.14414235  1
  C  C36  1  0.50709222  0.53621380  0.14504589  1
  C  C37  1  0.99360446  0.39279514  0.85597758  1
  C  C38  1  0.51625934  0.58072595  0.85308523  1
  C  C39  1  0.98255731  0.72510899  0.14417523  1
  C  C40  1  0.48366239  0.41926525  0.14694107  1
  C  C41  1  0.01758827  0.27489789  0.85589652  1
  C  C42  1  0.51391480  0.58588464  0.75157054  1
  C  C43  1  0.98738525  0.83115327  0.24472684  1
  C  C44  1  0.48602432  0.41412903  0.24846308  1
  C  C45  1  0.01523316  0.16890276  0.75515170  1
  N  N46  1  0.49189086  0.48349314  0.65347049  1
  N  N47  1  0.01096654  0.82606992  0.34286301  1
  N  N48  1  0.50809260  0.51653139  0.34655174  1
  N  N49  1  0.99253998  0.17405905  0.65696284  1
  N  N50  1  0.49129483  0.44921013  0.95599164  1
  N  N51  1  0.00563375  0.49274993  0.04430384  1
  N  N52  1  0.50847491  0.55077733  0.04401755  1
  N  N53  1  0.99150392  0.50716812  0.95591351  1
  N  N54  1  0.86761471  0.62514231  0.59014129  1
  N  N55  1  0.62896251  0.03601233  0.40814187  1
  N  N56  1  0.13236373  0.37513926  0.40989487  1
  N  N57  1  0.37058166  0.96415774  0.59198115  1
  O  O58  1  0.71720363  0.62999130  0.54670812  1
  O  O59  1  0.77879645  0.08524143  0.45137933  1
  O  O60  1  0.28265338  0.37016160  0.45338365  1
  O  O61  1  0.21973748  0.91578976  0.54987141  1
  O  O62  1  0.90759231  0.53694561  0.61177543  1
  O  O63  1  0.59191399  0.92589839  0.38659094  1
  O  O64  1  0.09269110  0.46342372  0.38831815  1
  O  O65  1  0.40916844  0.07385141  0.61286547  1
  O  O66  1  0.97575769  0.71669854  0.60986220  1
  O  O67  1  0.51915491  0.10682712  0.38836264  1
  O  O68  1  0.02410607  0.28361262  0.39006259  1
  O  O69  1  0.47997165  0.89281565  0.61148121  1
  O  O70  1  0.34735713  0.66382846  0.58548844  1
  O  O71  1  0.15238510  0.08026328  0.41323841  1
  O  O72  1  0.65246805  0.33624214  0.41457331  1
  O  O73  1  0.84568124  0.91897846  0.58618835  1
