# generated using pymatgen
data_Mn2CrNiH28(C7N8)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11694153
_cell_length_b   10.13584082
_cell_length_c   12.55377668
_cell_angle_alpha   90.02027711
_cell_angle_beta   90.01244878
_cell_angle_gamma   106.45177031
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CrNiH28(C7N8)4
_chemical_formula_sum   'Mn2 Cr1 Ni1 H28 C28 N32'
_cell_volume   990.53911889
_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  0.16264156  0.13518815  0.55870490  1
  Mn  Mn1  1  0.34351704  0.86762930  0.05166915  1
  Cr  Cr2  1  0.85037014  0.87390174  0.44697597  1
  Mn  Mn3  1  0.65796835  0.13409658  0.94511907  1
  H  H4  1  0.11211080  0.44584766  0.58214052  1
  H  H5  1  0.38430325  0.55053490  0.08123947  1
  H  H6  1  0.88635490  0.55078418  0.41716654  1
  H  H7  1  0.61332336  0.44938745  0.91929523  1
  H  H8  1  0.18416251  0.64591436  0.46275839  1
  H  H9  1  0.31170279  0.35048506  0.96079147  1
  H  H10  1  0.81338953  0.35255793  0.53723532  1
  H  H11  1  0.68680212  0.64950661  0.04003165  1
  H  H12  1  0.38609814  0.65220970  0.30687686  1
  H  H13  1  0.11031904  0.34570247  0.80475234  1
  H  H14  1  0.61124601  0.34804193  0.69316583  1
  H  H15  1  0.88935301  0.65457068  0.19471285  1
  H  H16  1  0.49858691  0.44738936  0.27933510  1
  H  H17  1  0.99973992  0.55107234  0.77769831  1
  H  H18  1  0.50098666  0.55339335  0.72015518  1
  H  H19  1  0.00091313  0.44904642  0.22144344  1
  H  H20  1  0.52727834  0.23085712  0.34765923  1
  H  H21  1  0.97158473  0.76829267  0.84595864  1
  H  H22  1  0.47291818  0.77149029  0.65156376  1
  H  H23  1  0.02764452  0.23177528  0.15296320  1
  H  H24  1  0.49400060  0.00103356  0.37788720  1
  H  H25  1  1.00470195  0.99953907  0.87685777  1
  H  H26  1  0.50620849  1.00047999  0.62311665  1
  H  H27  1  -0.00500994  0.00114643  0.12204533  1
  H  H28  1  0.33034723  0.90091839  0.46347128  1
  H  H29  1  0.17109407  0.09816558  0.96084514  1
  H  H30  1  0.66986129  0.10187641  0.53905992  1
  H  H31  1  0.82898420  0.90242270  0.03803500  1
  C  C32  1  0.19250585  0.44506568  0.51265760  1
  C  C33  1  0.30591774  0.55145112  0.01077521  1
  C  C34  1  0.80700335  0.55323386  0.48703101  1
  C  C35  1  0.69273364  0.44876719  0.98928938  1
  C  C36  1  0.23607603  0.56007249  0.44575433  1
  C  C37  1  0.26082526  0.43683486  0.94391386  1
  C  C38  1  0.76224484  0.43889260  0.55397455  1
  C  C39  1  0.73824589  0.56328852  0.05628024  1
  C  C40  1  0.34738848  0.56359651  0.35979605  1
  C  C41  1  0.14985535  0.43430720  0.85775156  1
  C  C42  1  0.65098850  0.43642842  0.64005850  1
  C  C43  1  0.85010482  0.56585656  0.14192964  1
  C  C44  1  0.41198615  0.45252715  0.34452812  1
  C  C45  1  0.08656862  0.54613575  0.84275759  1
  C  C46  1  0.58743885  0.54809699  0.65495301  1
  C  C47  1  0.91364734  0.45417087  0.15668495  1
  C  C48  1  0.35985719  0.33907718  0.41404178  1
  C  C49  1  0.13970811  0.65964750  0.91206982  1
  C  C50  1  0.64048461  0.66166549  0.58558752  1
  C  C51  1  0.85981101  0.34078603  0.08729610  1
  C  C52  1  0.42253790  0.22039472  0.40474467  1
  C  C53  1  0.07656950  0.77779186  0.90308506  1
  C  C54  1  0.57894183  0.78050345  0.59525439  1
  C  C55  1  0.92270297  0.22258797  0.09589057  1
  C  C56  1  0.43302714  -0.00254489  0.45659206  1
  C  C57  1  0.06649716  1.00257006  0.95520753  1
  C  C58  1  0.56799677  1.00463684  0.54475559  1
  C  C59  1  0.93315126  -0.00168847  0.04372815  1
  N  N60  1  0.24714604  0.33328069  0.49584596  1
  N  N61  1  0.25481934  0.66534158  0.99319576  1
  N  N62  1  0.75414734  0.66645885  0.50355976  1
  N  N63  1  0.74486289  0.33529833  0.00618743  1
  N  N64  1  0.35478359  0.11149381  0.46112953  1
  N  N65  1  0.14311563  0.88735895  0.95998146  1
  N  N66  1  0.64800346  0.89137611  0.53983613  1
  N  N67  1  0.85607778  0.11336257  0.03858498  1
  N  N68  1  0.01331369  0.90866073  0.57324145  1
  N  N69  1  0.46459657  0.08382102  0.07367674  1
  N  N70  1  0.96840160  0.07812102  0.41988673  1
  N  N71  1  0.53604253  0.91601938  0.92423564  1
  N  N72  1  0.08459398  0.83075446  0.61340405  1
  N  N73  1  0.40391714  0.16733179  0.11531596  1
  N  N74  1  0.90755866  0.16471628  0.38348582  1
  N  N75  1  0.59700472  0.83197947  0.88368273  1
  N  N76  1  0.15842692  0.75711271  0.64765251  1
  N  N77  1  0.34281712  0.24907383  0.15036570  1
  N  N78  1  0.84549774  0.24810268  0.35323986  1
  N  N79  1  0.65779247  0.74943109  0.84977533  1
  N  N80  1  0.96707285  0.19507620  0.64640248  1
  N  N81  1  0.54383497  0.80899932  0.15620670  1
  N  N82  1  0.03758934  0.81104819  0.35677978  1
  N  N83  1  0.46493524  0.19368007  0.84522268  1
  N  N84  1  0.88297989  0.15649524  0.72374851  1
  N  N85  1  0.62725451  0.83896017  0.23424408  1
  N  N86  1  0.12031423  0.84482212  0.27777714  1
  N  N87  1  0.37878714  0.15952175  0.76772789  1
  N  N88  1  0.79268417  0.12121692  0.79835732  1
  N  N89  1  0.70887827  0.85837419  0.31367649  1
  N  N90  1  0.20812078  0.87440142  0.20226567  1
  N  N91  1  0.28631735  0.12891414  0.69420100  1
