# generated using pymatgen
data_CrFeNiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.88532499
_cell_length_b   10.87444116
_cell_length_c   10.86384275
_cell_angle_alpha   89.15029656
_cell_angle_beta   88.99594029
_cell_angle_gamma   63.68704527
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFeNiH8C14(NO)6
_chemical_formula_sum   'Cr2 Fe2 Ni2 H16 C28 N12 O12'
_cell_volume   1152.51562778
_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  0.89928786  0.09704406  0.24077505  1
  Fe  Fe1  1  0.10071024  0.90295956  0.75922336  1
  Ni  Ni2  1  0.85869502  0.98092135  -0.00487485  1
  Cr  Cr3  1  0.01107758  0.14226096  0.50298627  1
  Ni  Ni4  1  0.14130588  0.01907513  1.00487485  1
  Cr  Cr5  1  0.98891575  0.85774516  0.49701366  1
  H  H6  1  0.53725576  0.16867339  0.41267361  1
  H  H7  1  0.83105455  0.45979070  0.08938288  1
  H  H8  1  0.46274698  0.83131653  0.58733026  1
  H  H9  1  0.16895022  0.54021091  0.91061387  1
  H  H10  1  0.33321174  0.15586675  0.51114016  1
  H  H11  1  0.84168342  0.66409551  0.99028216  1
  H  H12  1  0.66678476  0.84413112  0.48886096  1
  H  H13  1  0.15832462  0.33590506  0.00971614  1
  H  H14  1  0.42612045  0.07528691  0.05630339  1
  H  H15  1  0.92774107  0.57309165  0.44410063  1
  H  H16  1  0.57387920  0.92470924  0.94369792  1
  H  H17  1  0.07225090  0.42691387  0.55589994  1
  H  H18  1  0.87529855  0.21132425  0.02771248  1
  H  H19  1  0.79288026  0.10563020  0.46174965  1
  H  H20  1  0.12470372  0.78867538  0.97228489  1
  H  H21  1  0.20711379  0.89437273  0.53824408  1
  C  C22  1  0.62431347  0.11810254  0.17502138  1
  C  C23  1  0.88397178  0.37218203  0.32674118  1
  C  C24  1  0.37568987  0.88188779  0.82498271  1
  C  C25  1  0.11602377  0.62782256  0.67325809  1
  C  C26  1  0.49695657  0.11797125  0.22965421  1
  C  C27  1  0.88409816  0.49906237  0.27221535  1
  C  C28  1  0.50304538  0.88202174  0.77034846  1
  C  C29  1  0.11589921  0.50094139  0.72778369  1
  C  C30  1  0.46861224  0.14385352  0.35723742  1
  C  C31  1  0.85653112  0.52826450  0.14450036  1
  C  C32  1  0.53138985  0.85613831  0.64276534  1
  C  C33  1  0.14347133  0.47173782  0.85549782  1
  C  C34  1  0.35506864  0.13826675  0.41299424  1
  C  C35  1  0.86080656  0.64211131  0.08803784  1
  C  C36  1  0.64493111  0.86172904  0.58700761  1
  C  C37  1  0.13919873  0.35789005  0.91196101  1
  C  C38  1  0.26931600  0.10819214  0.33765692  1
  C  C39  1  0.89083831  0.72953031  0.16166574  1
  C  C40  1  0.73068302  0.89180612  0.66234364  1
  C  C41  1  0.10916646  0.27047059  0.83833438  1
  C  C42  1  0.29502157  0.08502287  0.21093980  1
  C  C43  1  0.91277208  0.70343970  0.28844170  1
  C  C44  1  0.70497947  0.91497465  0.78906092  1
  C  C45  1  0.08722801  0.29656292  0.71155900  1
  C  C46  1  0.40859635  0.09107142  0.15475620  1
  C  C47  1  0.91038185  0.58919970  0.34581589  1
  C  C48  1  0.59140525  0.90892336  0.84524513  1
  C  C49  1  0.08961340  0.41080474  0.65418419  1
  N  N50  1  0.15750455  0.08469114  0.36397420  1
  N  N51  1  0.91192095  0.84341602  0.13515850  1
  N  N52  1  0.84249034  0.91531340  0.63602251  1
  N  N53  1  0.08808835  0.15658267  0.86484189  1
  N  N54  1  0.12246132  0.03999397  0.26250519  1
  N  N55  1  0.95825115  0.87612508  0.23597149  1
  N  N56  1  0.87753336  0.96001371  0.73748985  1
  N  N57  1  0.04175458  0.12387481  0.76402998  1
  N  N58  1  0.19555932  0.05096667  0.16709769  1
  N  N59  1  0.94383650  0.80381679  0.33213612  1
  N  N60  1  0.80444051  0.94903615  0.83289976  1
  N  N61  1  0.05616517  0.19618506  0.66786499  1
  O  O62  1  0.92624741  0.11659782  0.05521432  1
  O  O63  1  0.88936510  0.05910431  0.43736038  1
  O  O64  1  0.07375316  0.88340175  0.94478399  1
  O  O65  1  0.11063016  0.94089800  0.56263664  1
  O  O66  1  0.69377714  0.15114244  0.24953848  1
  O  O67  1  0.84493190  0.30458549  0.25744640  1
  O  O68  1  0.30622364  0.84885270  0.75046456  1
  O  O69  1  0.15506401  0.69541942  0.74255147  1
  O  O70  1  0.65539331  0.08308327  0.06325450  1
  O  O71  1  0.92399800  0.33785285  0.43908974  1
  O  O72  1  0.34461180  0.91690471  0.93675054  1
  O  O73  1  0.07599686  0.66215269  0.56090962  1
