# generated using pymatgen
data_Mn2CrH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.87375861
_cell_length_b   10.86671227
_cell_length_c   11.10761624
_cell_angle_alpha   88.79356662
_cell_angle_beta   88.59955152
_cell_angle_gamma   63.76018859
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CrH8C14(NO)6
_chemical_formula_sum   'Mn4 Cr2 H16 C28 N12 O12'
_cell_volume   1176.81855933
_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  0.90934018  0.09082373  0.25021139  1
  Cr  Cr1  1  0.09065912  0.90917687  0.74978819  1
  Mn  Mn2  1  0.84462688  1.00511588  -0.01348374  1
  Mn  Mn3  1  -0.00498893  0.15546305  0.51366871  1
  Mn  Mn4  1  0.15537273  -0.00511520  1.01348415  1
  Mn  Mn5  1  1.00498713  0.84453928  0.48633074  1
  H  H6  1  0.53801239  0.17687259  0.41075544  1
  H  H7  1  0.82158842  0.46259290  0.09063359  1
  H  H8  1  0.46199019  0.82312298  0.58924484  1
  H  H9  1  0.17841694  0.53740567  0.90936300  1
  H  H10  1  0.33676925  0.16240134  0.51205431  1
  H  H11  1  0.83493948  0.66396216  0.98908306  1
  H  H12  1  0.66323059  0.83759773  0.48794589  1
  H  H13  1  0.16506944  0.33603427  0.01091479  1
  H  H14  1  0.42648090  0.07142047  0.06865622  1
  H  H15  1  0.93256465  0.57306790  0.43077504  1
  H  H16  1  0.57352111  0.92857425  0.93134461  1
  H  H17  1  0.06742701  0.42693665  0.56922535  1
  H  H18  1  0.90040303  0.21320474  0.05541412  1
  H  H19  1  0.78726116  0.09926208  0.44568178  1
  H  H20  1  0.09959457  0.78679717  0.94458723  1
  H  H21  1  0.21273727  0.90074068  0.55431736  1
  C  C22  1  0.62550510  0.11742825  0.17596289  1
  C  C23  1  0.88402267  0.37457323  0.32479168  1
  C  C24  1  0.37449527  0.88256855  0.82403682  1
  C  C25  1  0.11597431  0.62542874  0.67520604  1
  C  C26  1  0.49901546  0.11963809  0.23415690  1
  C  C27  1  0.88156358  0.50093773  0.26627304  1
  C  C28  1  0.50098529  0.88035844  0.76584360  1
  C  C29  1  0.11843513  0.49906399  0.73372557  1
  C  C30  1  0.47038721  0.14878529  0.35895030  1
  C  C31  1  0.85065974  0.52993369  0.14196589  1
  C  C32  1  0.52961462  0.85121199  0.64105057  1
  C  C33  1  0.14934388  0.47006530  0.85803259  1
  C  C34  1  0.35812819  0.14190406  0.41635857  1
  C  C35  1  0.85677804  0.64239998  0.08442716  1
  C  C36  1  0.64187220  0.85809504  0.58364300  1
  C  C37  1  0.14322724  0.35759810  0.91556988  1
  C  C38  1  0.27260081  0.10635785  0.34718742  1
  C  C39  1  0.89347977  0.72772676  0.15292026  1
  C  C40  1  0.72739873  0.89364215  0.65281350  1
  C  C41  1  0.10652398  0.27227284  0.84707920  1
  C  C42  1  0.29859860  0.08086878  0.22324943  1
  C  C43  1  0.92156559  0.70079353  0.27624611  1
  C  C44  1  0.70140210  0.91912947  0.77675177  1
  C  C45  1  0.07843221  0.29920884  0.72375308  1
  C  C46  1  0.40996834  0.08931722  0.16481380  1
  C  C47  1  0.91346271  0.58953773  0.33489685  1
  C  C48  1  0.59003252  0.91067927  0.83518878  1
  C  C49  1  0.08653289  0.41046575  0.66510267  1
  N  N50  1  0.16032975  0.08464340  0.37707059  1
  N  N51  1  0.91435181  0.84042115  0.12291081  1
  N  N52  1  0.83966864  0.91535871  0.62293046  1
  N  N53  1  0.08565308  0.15957687  0.87708774  1
  N  N54  1  0.11668887  0.05036517  0.27640533  1
  N  N55  1  0.95068360  0.88339323  0.22290578  1
  N  N56  1  0.88331019  0.94963542  0.72359603  1
  N  N57  1  0.04931657  0.11660762  0.77709371  1
  N  N58  1  0.20064643  0.04490353  0.18330589  1
  N  N59  1  0.95904202  0.79811673  0.31550874  1
  N  N60  1  0.79935333  0.95509505  0.81669560  1
  N  N61  1  0.04095379  0.20188614  0.68449155  1
  O  O62  1  0.93477917  0.11544577  0.07369559  1
  O  O63  1  0.88489540  0.06498372  0.42668297  1
  O  O64  1  0.06522100  0.88455410  0.92630429  1
  O  O65  1  0.11510260  0.93501867  0.57331647  1
  O  O66  1  0.70482986  0.14341889  0.24396514  1
  O  O67  1  0.85645656  0.29555791  0.25758829  1
  O  O68  1  0.29517025  0.85658032  0.75603463  1
  O  O69  1  0.14354178  0.70444426  0.74241028  1
  O  O70  1  0.64751394  0.08801492  0.06481263  1
  O  O71  1  0.91508310  0.35242733  0.43546005  1
  O  O72  1  0.35248659  0.91198095  0.93518883  1
  O  O73  1  0.08491244  0.64757507  0.56453956  1
