# generated using pymatgen
data_FeH3(CN2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84232970
_cell_length_b   7.83133265
_cell_length_c   9.01645790
_cell_angle_alpha   87.02695791
_cell_angle_beta   81.99652535
_cell_angle_gamma   68.05431084
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeH3(CN2)4
_chemical_formula_sum   'Fe2 H6 C8 N16'
_cell_volume   378.91231240
_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  0.19625800  0.60724154  0.00001452  1
  Fe  Fe1  1  0.80374915  0.39274932  0.99998540  1
  H  H2  1  0.93636499  0.70337791  0.34593079  1
  H  H3  1  0.36020080  0.70307999  0.65391146  1
  H  H4  1  0.06363491  0.29662391  0.65407156  1
  H  H5  1  0.63979860  0.29692043  0.34608838  1
  H  H6  1  0.72262246  0.00011067  0.48828498  1
  H  H7  1  0.27737553  0.99989149  0.51171474  1
  C  C8  1  0.90431843  0.83546449  0.29096386  1
  C  C9  1  0.26021527  0.83521395  0.70892946  1
  C  C10  1  0.09567931  0.16453670  0.70903670  1
  C  C11  1  0.73978373  0.16478696  0.29106952  1
  C  C12  1  0.78410307  0.00012603  0.36840132  1
  C  C13  1  0.21589545  0.99987588  0.63159848  1
  C  C14  1  0.94806273  0.00005916  0.07683923  1
  C  C15  1  0.05193751  0.99993947  0.92316059  1
  N  N16  1  0.98659955  0.83405503  0.14224224  1
  N  N17  1  0.17922407  0.83390509  0.85765132  1
  N  N18  1  0.01339796  0.16594429  0.85775814  1
  N  N19  1  0.82077682  0.16609441  0.14234743  1
  N  N20  1  0.07183146  0.42978930  0.12500849  1
  N  N21  1  0.49849306  0.42975243  0.87500443  1
  N  N22  1  0.92817809  0.57020457  0.87499217  1
  N  N23  1  0.50150680  0.57024277  0.12499384  1
  N  N24  1  0.12255025  0.36244182  0.24731227  1
  N  N25  1  0.51507423  0.36236620  0.75272572  1
  N  N26  1  0.87745084  0.63755935  0.75269222  1
  N  N27  1  0.48492749  0.63763526  0.24726930  1
  N  N28  1  0.16802296  0.29606467  0.36287355  1
  N  N29  1  0.53592525  0.29596030  0.63718079  1
  N  N30  1  0.83196687  0.70394235  0.63713400  1
  N  N31  1  0.46407976  0.70404650  0.36281153  1
