# generated using pymatgen
data_Cr2CoH36C36S4(NO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.50015969
_cell_length_b   11.10603035
_cell_length_c   11.35072454
_cell_angle_alpha   90.94686445
_cell_angle_beta   111.15097837
_cell_angle_gamma   89.48895580
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2CoH36C36S4(NO8)2
_chemical_formula_sum   'Cr2 Co1 H36 C36 S4 N2 O16'
_cell_volume   999.21454942
_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  0.81853924  0.83816608  0.92546692  1
  Cr  Cr1  1  0.18145161  0.16183695  0.07453011  1
  Co  Co2  1  0.49998382  0.00000280  0.00000833  1
  H  H3  1  0.92005954  0.01025343  0.83453505  1
  H  H4  1  0.07991933  0.98975266  0.16545471  1
  H  H5  1  0.79846901  0.93202322  0.71833203  1
  H  H6  1  0.20151551  0.06797652  0.28165832  1
  H  H7  1  0.67251590  0.52810329  0.07041717  1
  H  H8  1  0.32752554  0.47191229  0.92959028  1
  H  H9  1  0.58716591  0.35807777  0.17319789  1
  H  H10  1  0.41287003  0.64192727  0.82679533  1
  H  H11  1  0.48805150  0.39826731  0.35243531  1
  H  H12  1  0.51196034  0.60172577  0.64754774  1
  H  H13  1  0.48046026  0.60907642  0.42988170  1
  H  H14  1  0.51955097  0.39091106  0.57011563  1
  H  H15  1  0.11057316  0.87098617  0.70552305  1
  H  H16  1  0.88942073  0.12901644  0.29448100  1
  H  H17  1  0.88085616  0.86266322  0.49438447  1
  H  H18  1  0.11913897  0.13733469  0.50561646  1
  H  H19  1  0.95052342  0.83286329  0.30091958  1
  H  H20  1  0.04948085  0.16712713  0.69908559  1
  H  H21  1  0.25070017  0.81444996  0.31896981  1
  H  H22  1  0.74930627  0.18553674  0.68104133  1
  H  H23  1  0.76583733  0.18824870  0.00908369  1
  H  H24  1  0.23413388  0.81175563  0.99090089  1
  H  H25  1  0.90806470  0.71256960  0.70441517  1
  H  H26  1  0.09193997  0.28742896  0.29558345  1
  H  H27  1  0.93621750  0.58121634  0.57297619  1
  H  H28  1  0.06376928  0.41877107  0.42701996  1
  H  H29  1  0.83245218  0.44116597  0.57006151  1
  H  H30  1  0.16753462  0.55882491  0.42994870  1
  H  H31  1  0.05607466  0.44996056  0.64133477  1
  H  H32  1  0.94391270  0.55002934  0.35866934  1
  H  H33  1  0.80758269  0.43303984  0.85104610  1
  H  H34  1  0.19242030  0.56697313  0.14897146  1
  H  H35  1  0.03158042  0.44264179  0.92113474  1
  H  H36  1  0.96842648  0.55736185  0.07886895  1
  H  H37  1  0.93813943  0.35007940  0.78484571  1
  H  H38  1  0.06184365  0.64992241  0.21516314  1
  C  C39  1  0.56595431  0.68664462  0.29090503  1
  C  C40  1  0.43405770  0.31335459  0.70909696  1
  C  C41  1  0.61760384  0.66528843  0.18658152  1
  C  C42  1  0.38241042  0.33471787  0.81342132  1
  C  C43  1  0.62893034  0.54536903  0.14850001  1
  C  C44  1  0.37109837  0.45463888  0.85150184  1
  C  C45  1  0.58202404  0.44989450  0.20687123  1
  C  C46  1  0.41800397  0.55010832  0.79312371  1
  C  C47  1  0.52722108  0.47226701  0.30752316  1
  C  C48  1  0.47279529  0.52772900  0.69246776  1
  C  C49  1  0.52105329  0.59009884  0.35048118  1
  C  C50  1  0.47895954  0.40989472  0.64951544  1
  C  C51  1  0.65465377  0.76562859  0.11518934  1
  C  C52  1  0.34535587  0.23437985  0.88481488  1
  C  C53  1  0.34916507  0.83184089  0.52260301  1
  C  C54  1  0.65083493  0.16815406  0.47740591  1
  C  C55  1  0.31186329  0.84535135  0.63385102  1
  C  C56  1  0.68813300  0.15465006  0.36615624  1
  C  C57  1  0.14105098  0.85681531  0.62082781  1
  C  C58  1  0.85894572  0.14318567  0.37917744  1
  C  C59  1  0.01212140  0.85205662  0.50243208  1
  C  C60  1  0.98787674  0.14794050  0.49757273  1
  C  C61  1  0.05119324  0.83659318  0.39367964  1
  C  C62  1  0.94880837  0.16339872  0.60632675  1
  C  C63  1  0.21949666  0.82631638  0.40368372  1
  C  C64  1  0.78050612  0.17367409  0.59632431  1
  C  C65  1  0.44148596  0.84971144  0.76472467  1
  C  C66  1  0.55851300  0.15029378  0.23528017  1
  C  C67  1  0.81638897  0.11011692  0.97375351  1
  C  C68  1  0.18359291  0.88988494  0.02623933  1
  C  C69  1  0.90977222  0.64592338  0.77594564  1
  C  C70  1  0.09022455  0.35407854  0.22405266  1
  C  C71  1  0.93788225  0.49923143  0.62561263  1
  C  C72  1  0.06210646  0.50076063  0.37439028  1
  C  C73  1  0.92490359  0.43438211  0.83127830  1
  C  C74  1  0.07509367  0.56562245  0.16873003  1
  S  S75  1  0.56078664  0.83239333  0.35043252  1
  S  S76  1  0.43921713  0.16760162  0.64957448  1
  S  S77  1  0.55980784  0.82336796  0.53202005  1
  S  S78  1  0.44019054  0.17662074  0.46798656  1
  N  N79  1  0.92365918  0.53161914  0.74638045  1
  N  N80  1  0.07633554  0.46838115  0.25362364  1
  O  O81  1  0.74752246  0.74245214  0.04933444  1
  O  O82  1  0.25248321  0.25755785  0.95066722  1
  O  O83  1  0.59297899  0.86838803  0.12337422  1
  O  O84  1  0.40703783  0.13162414  0.87663568  1
  O  O85  1  0.59540899  0.82088256  0.78080651  1
  O  O86  1  0.40458451  0.17911967  0.21919694  1
  O  O87  1  0.39112820  0.87637604  0.85432601  1
  O  O88  1  0.60886953  0.12363254  0.14568029  1
  O  O89  1  0.74447520  0.00766091  0.97004932  1
  O  O90  1  0.25550705  0.99234080  0.02994295  1
  O  O91  1  0.94194787  0.12480548  0.93790670  1
  O  O92  1  0.05803718  0.87520033  0.06209011  1
  O  O93  1  0.89994591  0.67876632  0.88178777  1
  O  O94  1  0.10004254  0.32123820  0.11820865  1
  O  O95  1  0.89655743  0.92628979  0.79732867  1
  O  O96  1  0.10342399  0.07371554  0.20266440  1
