# generated using pymatgen
data_MnCr2H8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.03351756
_cell_length_b   11.02103913
_cell_length_c   11.03890912
_cell_angle_alpha   88.49941552
_cell_angle_beta   88.31905316
_cell_angle_gamma   62.92685047
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCr2H8C14(NO)6
_chemical_formula_sum   'Mn2 Cr4 H16 C28 N12 O12'
_cell_volume   1194.61651755
_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
  Mn  Mn0  1  0.90506563  0.09570263  0.25244138  1
  Mn  Mn1  1  0.09493503  0.90429794  0.74755790  1
  Cr  Cr2  1  0.85582775  0.99248036  -0.01054627  1
  Cr  Cr3  1  0.01180546  0.14447713  0.50960621  1
  Cr  Cr4  1  0.14417206  0.00752308  1.01054621  1
  Cr  Cr5  1  0.98818575  0.85552761  0.49039301  1
  H  H6  1  0.54349982  0.17784477  0.39709284  1
  H  H7  1  0.82081587  0.45877323  0.10437304  1
  H  H8  1  0.45650343  0.82214953  0.60290787  1
  H  H9  1  0.17918859  0.54122467  0.89562528  1
  H  H10  1  0.34829812  0.16076120  0.50370737  1
  H  H11  1  0.83718438  0.65362756  0.99699926  1
  H  H12  1  0.65170579  0.83923149  0.49629417  1
  H  H13  1  0.16282588  0.34636854  0.00299871  1
  H  H14  1  0.42622752  0.08182636  0.05393782  1
  H  H15  1  0.92389005  0.57480108  0.44491202  1
  H  H16  1  0.57377280  0.91817214  0.94606208  1
  H  H17  1  0.07609789  0.42520812  0.55508831  1
  H  H18  1  0.90400414  0.20638849  0.03307445  1
  H  H19  1  0.79195131  0.09760164  0.47070093  1
  H  H20  1  0.09599433  0.79361444  0.96692703  1
  H  H21  1  0.20803958  0.90240593  0.52929089  1
  C  C22  1  0.62853414  0.11990120  0.16406145  1
  C  C23  1  0.88297746  0.37276663  0.33679569  1
  C  C24  1  0.37146548  0.88009590  0.83593757  1
  C  C25  1  0.11702174  0.62723988  0.66320613  1
  C  C26  1  0.50227882  0.12346128  0.22043399  1
  C  C27  1  0.87910693  0.49887904  0.27974635  1
  C  C28  1  0.49772182  0.87653560  0.77956589  1
  C  C29  1  0.12089177  0.50112255  0.72025322  1
  C  C30  1  0.47588152  0.15107274  0.34639752  1
  C  C31  1  0.84922118  0.52581459  0.15433642  1
  C  C32  1  0.52412030  0.84892211  0.65360312  1
  C  C33  1  0.15078263  0.47418468  0.84566261  1
  C  C34  1  0.36729850  0.14283913  0.40690620  1
  C  C35  1  0.85720379  0.63431200  0.09338129  1
  C  C36  1  0.63270585  0.85715514  0.59309454  1
  C  C37  1  0.14280258  0.36568503  0.90661892  1
  C  C38  1  0.28268471  0.10923543  0.33818873  1
  C  C39  1  0.89350671  0.71807702  0.16082913  1
  C  C40  1  0.71731790  0.89075936  0.66181301  1
  C  C41  1  0.10649590  0.28192405  0.83916714  1
  C  C42  1  0.30366403  0.08941568  0.21242651  1
  C  C43  1  0.91646229  0.69597625  0.28593454  1
  C  C44  1  0.69633643  0.91058257  0.78757481  1
  C  C45  1  0.08353536  0.30402497  0.71406257  1
  C  C46  1  0.41237075  0.09722753  0.15114934  1
  C  C47  1  0.90758316  0.58819759  0.34790718  1
  C  C48  1  0.58762940  0.90277053  0.84885059  1
  C  C49  1  0.09241233  0.41180792  0.65209371  1
  N  N50  1  0.17805171  0.07831294  0.37078862  1
  N  N51  1  0.92352726  0.82325510  0.12749887  1
  N  N52  1  0.82195323  0.92167891  0.62921414  1
  N  N53  1  0.07647678  0.17674554  0.87250115  1
  N  N54  1  0.13763950  0.04015865  0.27256410  1
  N  N55  1  0.96388610  0.86306423  0.22502248  1
  N  N56  1  0.86236042  0.95984078  0.72743757  1
  N  N57  1  0.03611537  0.13693528  0.77497764  1
  N  N58  1  0.20714913  0.05264858  0.17496686  1
  N  N59  1  0.95591198  0.79118423  0.32212342  1
  N  N60  1  0.79284975  0.94735063  0.82503590  1
  N  N61  1  0.04408351  0.20881769  0.67787846  1
  O  O62  1  0.94243797  0.11309857  0.06447050  1
  O  O63  1  0.88537866  0.05780565  0.43951468  1
  O  O64  1  0.05756179  0.88690330  0.93552999  1
  O  O65  1  0.11461435  0.94219751  0.56048168  1
  O  O66  1  0.69866714  0.15394203  0.23134830  1
  O  O67  1  0.84630093  0.30321269  0.27119518  1
  O  O68  1  0.30133541  0.84605746  0.76865417  1
  O  O69  1  0.15369901  0.69678554  0.72880264  1
  O  O70  1  0.66102233  0.08020364  0.05383035  1
  O  O71  1  0.92590786  0.33951481  0.44587675  1
  O  O72  1  0.33897801  0.91979431  0.94616905  1
  O  O73  1  0.07408768  0.66049033  0.55412335  1
