# generated using pymatgen
data_NiH12C8(N2O)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42858303
_cell_length_b   6.87377841
_cell_length_c   8.75465079
_cell_angle_alpha   116.21643893
_cell_angle_beta   100.37919054
_cell_angle_gamma   98.19798429
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiH12C8(N2O)4
_chemical_formula_sum   'Ni1 H12 C8 N8 O4'
_cell_volume   330.38429338
_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
  Ni  Ni0  1  1.00327854  0.46249413  0.48732528  1
  H  H1  1  0.84993681  0.15772683  0.05997285  1
  H  H2  1  0.16302162  0.79486558  0.91162264  1
  H  H3  1  0.44009631  0.63425428  0.39938335  1
  H  H4  1  0.55025950  0.35144681  0.58907987  1
  H  H5  1  0.57478985  0.30084033  0.99950182  1
  H  H6  1  0.44842655  0.71616680  0.00259927  1
  H  H7  1  0.65712452  0.57744893  0.18395144  1
  H  H8  1  0.34557822  0.43819698  0.81778731  1
  H  H9  1  0.03331394  0.10191503  0.51638312  1
  H  H10  1  0.99234870  0.86886729  0.59905465  1
  H  H11  1  0.19507797  0.12250574  0.40115411  1
  H  H12  1  0.78854635  0.96858503  0.62712489  1
  C  C13  1  0.01157534  0.27055161  0.10655907  1
  C  C14  1  0.99647755  0.69395762  0.86943048  1
  C  C15  1  0.31049432  0.51139690  0.28312051  1
  C  C16  1  0.68509359  0.47265239  0.70151944  1
  C  C17  1  0.52769051  0.45908564  0.06292132  1
  C  C18  1  0.48243225  0.55147626  0.93467938  1
  C  C19  1  0.55473496  0.12715044  0.28712992  1
  C  C20  1  0.41381674  0.86111488  0.69457516  1
  N  N21  1  0.33231863  0.41319505  0.11816662  1
  N  N22  1  0.67252173  0.58113975  0.86897750  1
  N  N23  1  0.14256668  0.26273993  0.00352010  1
  N  N24  1  0.87002776  0.71774911  0.97778680  1
  N  N25  1  0.10820930  0.42618941  0.27867601  1
  N  N26  1  0.88910750  0.53963084  0.69891611  1
  N  N27  1  0.73144825  0.24561965  0.32454947  1
  N  N28  1  0.23658325  0.73667174  0.64485961  1
  O  O29  1  0.37367812  0.00992458  0.25093824  1
  O  O30  1  0.59167512  -0.00916817  0.74754556  1
  O  O31  1  0.14620043  0.21091358  0.50559160  1
  O  O32  1  0.88154797  0.92269114  0.54559053  1
