# generated using pymatgen
data_CoH4C4(N4O)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.45816355
_cell_length_b   6.51650039
_cell_length_c   9.91809652
_cell_angle_alpha   89.99991926
_cell_angle_beta   90.00048307
_cell_angle_gamma   101.17984341
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoH4C4(N4O)2
_chemical_formula_sum   'Co2 H8 C8 N16 O4'
_cell_volume   409.47856556
_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
  Co  Co0  1  0.99999405  0.99999390  0.49999645  1
  Co  Co1  1  0.00000499  0.50000108  0.99999843  1
  H  H2  1  0.75337559  0.50908291  0.68474937  1
  H  H3  1  0.24663204  0.99091920  0.18474813  1
  H  H4  1  0.24660489  0.49090472  0.31526118  1
  H  H5  1  0.75338290  0.00909478  0.81525352  1
  H  H6  1  0.42991264  0.83021930  0.40955478  1
  H  H7  1  0.57007931  0.66978113  0.90954791  1
  H  H8  1  0.57007040  0.16977141  0.59045338  1
  H  H9  1  0.42993376  0.33022962  0.09045073  1
  C  C10  1  0.64182471  0.50354013  0.60241627  1
  C  C11  1  0.35817977  0.99646326  0.10241361  1
  C  C12  1  0.35815843  0.49645213  0.39759249  1
  C  C13  1  0.64183363  0.00354789  0.89758614  1
  C  C14  1  0.46174325  0.68312129  0.44781316  1
  C  C15  1  0.53824984  0.81687915  0.94780787  1
  C  C16  1  0.53823925  0.31686966  0.55219497  1
  C  C17  1  0.46176444  0.18313261  0.05219043  1
  N  N18  1  0.98033840  0.74643971  0.36587058  1
  N  N19  1  0.01965761  0.75355860  0.86586898  1
  N  N20  1  0.01964387  0.25355356  0.63412975  1
  N  N21  1  0.98036198  0.24644560  0.13412959  1
  N  N22  1  0.90110919  0.69838101  0.25989973  1
  N  N23  1  0.09888757  0.80162015  0.75990340  1
  N  N24  1  0.09888276  0.30161911  0.74009331  1
  N  N25  1  0.90112027  0.19837819  0.24009101  1
  N  N26  1  0.60657236  0.68833220  0.54936119  1
  N  N27  1  0.39342698  0.81166991  0.04935846  1
  N  N28  1  0.39341422  0.31165889  0.45064642  1
  N  N29  1  0.60658432  0.18834277  0.95064026  1
  N  N30  1  0.83266915  0.64720980  0.15132032  1
  N  N31  1  0.16733675  0.85278985  0.65132272  1
  N  N32  1  0.16733985  0.35278970  0.84867273  1
  N  N33  1  0.83265758  0.14720764  0.34866873  1
  O  O34  1  0.71037929  0.86884838  0.59613849  1
  O  O35  1  0.28962314  0.63115410  0.09613541  1
  O  O36  1  0.28961045  0.13114408  0.40386470  1
  O  O37  1  0.71038659  0.36885833  0.90386013  1
