# generated using pymatgen
data_CrH12C8(N2O)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.45855952
_cell_length_b   6.89118390
_cell_length_c   8.80271728
_cell_angle_alpha   116.20907447
_cell_angle_beta   100.52217636
_cell_angle_gamma   98.13349080
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrH12C8(N2O)4
_chemical_formula_sum   'Cr1 H12 C8 N8 O4'
_cell_volume   334.45577930
_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
  Cr  Cr0  1  1.00525553  0.45113304  0.48497458  1
  H  H1  1  0.85304079  0.15092497  0.05266131  1
  H  H2  1  0.16288497  0.80005271  0.91884676  1
  H  H3  1  0.43680680  0.63425865  0.39561850  1
  H  H4  1  0.55271556  0.35390282  0.59511295  1
  H  H5  1  0.57910547  0.30533063  1.00208984  1
  H  H6  1  0.44618771  0.71560509  0.00309552  1
  H  H7  1  0.65532600  0.58144616  0.18546704  1
  H  H8  1  0.34812040  0.43809305  0.81913051  1
  H  H9  1  0.02967705  0.10127573  0.51608909  1
  H  H10  1  0.99928624  0.86738921  0.59701562  1
  H  H11  1  0.19399293  0.12942874  0.40252342  1
  H  H12  1  0.79725588  0.96954321  0.62126990  1
  C  C13  1  0.01286835  0.26538154  0.09958121  1
  C  C14  1  0.99696088  0.69903430  0.87676569  1
  C  C15  1  0.30883486  0.51168479  0.27880512  1
  C  C16  1  0.68725912  0.47283007  0.70787861  1
  C  C17  1  0.52846692  0.46105778  0.06399739  1
  C  C18  1  0.48322140  0.55292702  0.93624033  1
  C  C19  1  0.54738468  0.12804242  0.29248721  1
  C  C20  1  0.41299115  0.85821982  0.69073863  1
  N  N21  1  0.33353607  0.41120478  0.11643713  1
  N  N22  1  0.67278037  0.58563961  0.87262784  1
  N  N23  1  0.14669769  0.25686405  0.00058161  1
  N  N24  1  0.86790719  0.72749698  0.98170758  1
  N  N25  1  0.10555289  0.42422422  0.27214401  1
  N  N26  1  0.89243360  0.53897392  0.70623427  1
  N  N27  1  0.72701024  0.23902041  0.32915201  1
  N  N28  1  0.23760958  0.72920133  0.63445404  1
  O  O29  1  0.36489997  0.02017902  0.25983502  1
  O  O30  1  0.58868481  -0.01304818  0.74330536  1
  O  O31  1  0.13601885  0.21391555  0.50230334  1
  O  O32  1  0.88922502  0.91876268  0.54082263  1
