# generated using pymatgen
data_VH12C8(N2O)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.45967401
_cell_length_b   6.89630288
_cell_length_c   8.80474236
_cell_angle_alpha   116.20344176
_cell_angle_beta   100.49789259
_cell_angle_gamma   98.12387274
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VH12C8(N2O)4
_chemical_formula_sum   'V1 H12 C8 N8 O4'
_cell_volume   334.92175156
_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
  V  V0  1  1.00171818  0.45480860  0.48472904  1
  H  H1  1  0.85309134  0.15070142  0.05193230  1
  H  H2  1  0.16383330  0.80022111  0.92000424  1
  H  H3  1  0.43651902  0.63355402  0.39574551  1
  H  H4  1  0.55397619  0.35468922  0.59459283  1
  H  H5  1  0.57923702  0.30569258  1.00228226  1
  H  H6  1  0.44647807  0.71517922  0.00214166  1
  H  H7  1  0.65539036  0.58100809  0.18503361  1
  H  H8  1  0.34849783  0.43813363  0.81867110  1
  H  H9  1  0.03118583  0.09230042  0.51569298  1
  H  H10  1  1.00064609  0.86741255  0.60188714  1
  H  H11  1  0.19582517  0.12141002  0.40316732  1
  H  H12  1  0.79633823  0.96812980  0.62213382  1
  C  C13  1  0.01251297  0.26563787  0.09918778  1
  C  C14  1  0.99758125  0.69960307  0.87704280  1
  C  C15  1  0.30859774  0.51155938  0.27888396  1
  C  C16  1  0.68768023  0.47499602  0.70707123  1
  C  C17  1  0.52830814  0.46116217  0.06375612  1
  C  C18  1  0.48367771  0.55261126  0.93574675  1
  C  C19  1  0.54300708  0.12728239  0.28864200  1
  C  C20  1  0.41594493  0.86638961  0.69331879  1
  N  N21  1  0.33334931  0.41173882  0.11635517  1
  N  N22  1  0.67344024  0.58540171  0.87236539  1
  N  N23  1  0.14658908  0.25790952  0.00056192  1
  N  N24  1  0.86855796  0.72587035  0.98174506  1
  N  N25  1  0.10599373  0.42274335  0.27212884  1
  N  N26  1  0.89238016  0.54342661  0.70590271  1
  N  N27  1  0.72078769  0.24542998  0.33077780  1
  N  N28  1  0.23982194  0.73765493  0.63467723  1
  O  O29  1  0.36276367  0.01466068  0.25490394  1
  O  O30  1  0.59328090  -0.00777378  0.74625275  1
  O  O31  1  0.13394894  0.20589185  0.50015434  1
  O  O32  1  0.88903865  0.91455969  0.54250569  1
