# generated using pymatgen
data_CrH4C6(N3O2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.00488477
_cell_length_b   6.00475635
_cell_length_c   14.15749444
_cell_angle_alpha   102.16489350
_cell_angle_beta   102.16374776
_cell_angle_gamma   90.03975085
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrH4C6(N3O2)2
_chemical_formula_sum   'Cr2 H8 C12 N12 O8'
_cell_volume   487.27925109
_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
  Cr  Cr0  1  0.12483917  0.87515538  0.24999602  1
  Cr  Cr1  1  0.87516027  0.12484460  0.75000479  1
  H  H2  1  0.28904004  0.76416512  0.02765404  1
  H  H3  1  0.76452718  0.73920939  0.52759854  1
  H  H4  1  0.73920385  0.76452264  0.02759342  1
  H  H5  1  0.76416828  0.28903543  0.52765461  1
  H  H6  1  0.71095249  0.23583829  0.97234421  1
  H  H7  1  0.23583250  0.71096877  0.47234751  1
  H  H8  1  0.26078601  0.23547574  0.97240303  1
  H  H9  1  0.23547587  0.26079583  0.47240487  1
  C  C10  1  0.62086975  0.87101796  0.24200737  1
  C  C11  1  0.87101975  0.62087536  0.74201278  1
  C  C12  1  0.37912483  0.12898070  0.75798992  1
  C  C13  1  0.12898275  0.37912848  0.25799060  1
  C  C14  1  0.43150738  0.79541873  0.09033631  1
  C  C15  1  0.79552726  0.65925125  0.59032610  1
  C  C16  1  0.65924771  0.79552004  0.09032214  1
  C  C17  1  0.79542729  0.43150805  0.59033826  1
  C  C18  1  0.56848137  0.20457623  0.90966071  1
  C  C19  1  0.20457761  0.56849784  0.40966433  1
  C  C20  1  0.34074650  0.20447483  0.90967323  1
  C  C21  1  0.20447612  0.34075388  0.40967687  1
  N  N22  1  0.67182161  0.92210988  0.34420826  1
  N  N23  1  0.92211107  0.67181883  0.84421307  1
  N  N24  1  0.32818096  0.07788956  0.65578811  1
  N  N25  1  0.07789411  0.32817827  0.15579041  1
  N  N26  1  0.40387350  0.84358756  0.18704419  1
  N  N27  1  0.84365762  0.78313323  0.68701527  1
  N  N28  1  0.78312540  0.84365530  0.18701015  1
  N  N29  1  0.84359186  0.40387360  0.68704670  1
  N  N30  1  0.59611954  0.15640891  0.81295291  1
  N  N31  1  0.15641212  0.59613050  0.31295653  1
  N  N32  1  0.21686724  0.15634241  0.81298558  1
  N  N33  1  0.15634411  0.21687138  0.31298871  1
  O  O34  1  0.87906229  0.94368729  0.38770541  1
  O  O35  1  0.94411142  0.50808294  0.88784275  1
  O  O36  1  0.50810522  0.94411616  0.38784689  1
  O  O37  1  0.94369609  0.87905982  0.88771739  1
  O  O38  1  0.12094408  0.05630337  0.61228667  1
  O  O39  1  0.05631856  0.12093378  0.11228986  1
  O  O40  1  0.49190708  0.05589297  0.61215436  1
  O  O41  1  0.05588760  0.49190501  0.11215593  1
