# generated using pymatgen
data_CrH28(C13N5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.84253428
_cell_length_b   10.39280925
_cell_length_c   10.42593877
_cell_angle_alpha   75.75781903
_cell_angle_beta   72.14429012
_cell_angle_gamma   72.84399776
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrH28(C13N5)2
_chemical_formula_sum   'Cr1 H28 C26 N10'
_cell_volume   664.36910849
_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  0.00000059  -0.00000070  0.99999962  1
  H  H1  1  0.94334000  0.06495830  0.71331691  1
  H  H2  1  0.06722275  0.28528235  0.92242811  1
  H  H3  1  0.05666297  0.93503977  0.28668007  1
  H  H4  1  0.93277780  0.71471649  0.07756962  1
  H  H5  1  0.12731382  0.16536954  0.48421618  1
  H  H6  1  0.88332499  0.51402555  0.82523244  1
  H  H7  1  0.87269067  0.83462890  0.51578207  1
  H  H8  1  0.11667425  0.48597401  0.17476769  1
  H  H9  1  0.65159566  0.13250804  0.64989989  1
  H  H10  1  0.34286137  0.34935254  0.88722394  1
  H  H11  1  0.34840213  0.86749556  0.35010246  1
  H  H12  1  0.65713715  0.65064747  0.11277717  1
  H  H13  1  0.45773224  0.02797596  0.87105307  1
  H  H14  1  0.53699147  0.12904008  0.98879506  1
  H  H15  1  0.54226440  0.97202600  0.12894851  1
  H  H16  1  0.46300717  0.87095978  0.01120556  1
  H  H17  1  0.52480579  0.15680492  0.33561137  1
  H  H18  1  0.48156910  0.66188497  0.84549809  1
  H  H19  1  0.47519736  0.84319535  0.66438854  1
  H  H20  1  0.51842492  0.33811515  0.15450276  1
  H  H21  1  0.68406288  0.21167303  0.40582707  1
  H  H22  1  0.31901702  0.58939526  0.79611059  1
  H  H23  1  0.31594014  0.78832692  0.59417310  1
  H  H24  1  0.68098347  0.41060294  0.20388671  1
  H  H25  1  0.23979628  0.37315065  0.37422271  1
  H  H26  1  0.76020560  0.62685003  0.62578056  1
  H  H27  1  0.41042536  0.43363182  0.42972550  1
  H  H28  1  0.58958045  0.56636853  0.57027419  1
  C  C29  1  0.10164315  0.07889196  0.69614804  1
  C  C30  1  0.90615095  0.30254428  0.91450669  1
  C  C31  1  0.89835917  0.92110668  0.30385001  1
  C  C32  1  0.09384932  0.69745492  0.08549176  1
  C  C33  1  0.20442682  0.13750194  0.56821619  1
  C  C34  1  0.80366628  0.42997644  0.85731072  1
  C  C35  1  0.79557617  0.86249710  0.43178245  1
  C  C36  1  0.19633293  0.57002327  0.14268855  1
  C  C37  1  0.40645635  0.15610077  0.54824418  1
  C  C38  1  0.59792848  0.44955658  0.84641268  1
  C  C39  1  0.59354578  0.84389939  0.45175590  1
  C  C40  1  0.40207057  0.55044315  0.15358738  1
  C  C41  1  0.49635183  0.11726567  0.65944986  1
  C  C42  1  0.50300491  0.33917682  0.89356621  1
  C  C43  1  0.50364775  0.88273603  0.34055128  1
  C  C44  1  0.49699376  0.66082310  0.10643444  1
  C  C45  1  0.38655474  0.05812216  0.78458081  1
  C  C46  1  0.61317375  0.21446725  0.95053929  1
  C  C47  1  0.61344426  0.94187907  0.21541962  1
  C  C48  1  0.38682552  0.78553267  0.04946083  1
  C  C49  1  0.51915588  0.21823176  0.40949114  1
  C  C50  1  0.48467928  0.58739357  0.78552699  1
  C  C51  1  0.48084703  0.78176820  0.59050911  1
  C  C52  1  0.51531966  0.41260592  0.21447289  1
  C  C53  1  0.40757931  0.36610027  0.36379468  1
  C  C54  1  0.59242326  0.63389993  0.63620603  1
  N  N55  1  0.83816276  0.91388967  0.91780712  1
  N  N56  1  0.16183607  0.08610861  0.08218856  1
  N  N57  1  0.88627030  0.83544676  0.83950493  1
  N  N58  1  0.11371969  0.16456112  0.16050012  1
  N  N59  1  0.93205269  0.76060135  0.76164236  1
  N  N60  1  0.06794334  0.23939614  0.23835813  1
  N  N61  1  0.19141951  0.03855760  0.80394316  1
  N  N62  1  0.81309499  0.19496436  0.96051340  1
  N  N63  1  0.80858095  0.96144140  0.19605547  1
  N  N64  1  0.18690527  0.80503464  0.03948520  1
