# generated using pymatgen
data_V2CrH36C36S4(NO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.50612177
_cell_length_b   11.11324990
_cell_length_c   11.35828864
_cell_angle_alpha   90.94828651
_cell_angle_beta   111.15278300
_cell_angle_gamma   89.47835899
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2CrH36C36S4(NO8)2
_chemical_formula_sum   'V2 Cr1 H36 C36 S4 N2 O16'
_cell_volume   1001.21895546
_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
  V  V0  1  0.82772015  0.83729225  0.93016767  1
  V  V1  1  0.17227609  0.16271633  0.06983126  1
  Cr  Cr2  1  0.49999651  0.00000300  0.00000118  1
  H  H3  1  0.91570123  0.01469906  0.82559791  1
  H  H4  1  0.08428377  0.98530863  0.17439346  1
  H  H5  1  0.80042716  0.93502197  0.71050418  1
  H  H6  1  0.19956303  0.06497804  0.28949065  1
  H  H7  1  0.67037201  0.52878877  0.07420685  1
  H  H8  1  0.32966627  0.47122692  0.92580227  1
  H  H9  1  0.58708235  0.35794098  0.17571422  1
  H  H10  1  0.41295224  0.64206448  0.82428020  1
  H  H11  1  0.48755010  0.39560765  0.35456118  1
  H  H12  1  0.51246477  0.60438393  0.64542580  1
  H  H13  1  0.47836551  0.60634143  0.43328471  1
  H  H14  1  0.52164612  0.39364447  0.56671568  1
  H  H15  1  0.10497783  0.87153392  0.70265172  1
  H  H16  1  0.89501396  0.12846784  0.29735009  1
  H  H17  1  0.87744398  0.86224897  0.49194226  1
  H  H18  1  0.12254929  0.13774762  0.50805835  1
  H  H19  1  0.94746900  0.83247320  0.29884541  1
  H  H20  1  0.05252922  0.16751737  0.70115730  1
  H  H21  1  0.24805131  0.81397979  0.31824772  1
  H  H22  1  0.75194845  0.18600939  0.68175890  1
  H  H23  1  0.76413325  0.19712884  0.01222168  1
  H  H24  1  0.23584344  0.80288083  0.98776308  1
  H  H25  1  0.90898121  0.70831539  0.70396709  1
  H  H26  1  0.09102533  0.29167978  0.29602700  1
  H  H27  1  0.93600597  0.57847260  0.57071140  1
  H  H28  1  0.06398039  0.42151417  0.42928579  1
  H  H29  1  0.83299015  0.43793074  0.56576801  1
  H  H30  1  0.16699642  0.56205844  0.43424049  1
  H  H31  1  0.05663312  0.44695392  0.63725312  1
  H  H32  1  0.94335475  0.55303434  0.36274843  1
  H  H33  1  0.80816159  0.43045674  0.84855567  1
  H  H34  1  0.19184051  0.56955282  0.15145987  1
  H  H35  1  0.03134900  0.44050129  0.91820374  1
  H  H36  1  0.96865444  0.55950058  0.08180131  1
  H  H37  1  0.93847535  0.34508823  0.78368547  1
  H  H38  1  0.06151157  0.65491138  0.21632425  1
  C  C39  1  0.56244016  0.68533570  0.29441894  1
  C  C40  1  0.43756933  0.31466246  0.70558552  1
  C  C41  1  0.61183402  0.66523319  0.18905043  1
  C  C42  1  0.38818070  0.33477232  0.81095529  1
  C  C43  1  0.62548563  0.54550425  0.15150808  1
  C  C44  1  0.37454180  0.45450425  0.84849616  1
  C  C45  1  0.58073382  0.44936227  0.20981123  1
  C  C46  1  0.41929240  0.55064079  0.79018553  1
  C  C47  1  0.52603018  0.47061947  0.31047712  1
  C  C48  1  0.47398597  0.52937604  0.68951627  1
  C  C49  1  0.51931944  0.58822790  0.35399328  1
  C  C50  1  0.48069178  0.41176492  0.64600562  1
  C  C51  1  0.65094935  0.76354328  0.11632495  1
  C  C52  1  0.34905454  0.23646534  0.88367974  1
  C  C53  1  0.34545932  0.83186368  0.52195022  1
  C  C54  1  0.65453677  0.16813033  0.47805534  1
  C  C55  1  0.30780968  0.84645048  0.63329463  1
  C  C56  1  0.69218338  0.15354956  0.36670852  1
  C  C57  1  0.13693515  0.85731700  0.61885001  1
  C  C58  1  0.86305736  0.14268280  0.38115213  1
  C  C59  1  0.00864540  0.85189028  0.50016864  1
  C  C60  1  0.99134876  0.14810666  0.49983321  1
  C  C61  1  0.04781744  0.83606595  0.39179185  1
  C  C62  1  0.95217958  0.16392758  0.60821175  1
  C  C63  1  0.21633028  0.82567704  0.40272497  1
  C  C64  1  0.78366745  0.17431453  0.59728015  1
  C  C65  1  0.43910875  0.85263154  0.76341338  1
  C  C66  1  0.56088384  0.14737482  0.23658943  1
  C  C67  1  0.80000414  0.11665603  0.97002308  1
  C  C68  1  0.19998725  0.88335114  0.02997494  1
  C  C69  1  0.91606659  0.64093824  0.77630711  1
  C  C70  1  0.08393267  0.35906205  0.22369057  1
  C  C71  1  0.93817957  0.49562573  0.62216901  1
  C  C72  1  0.06180988  0.50436412  0.37783386  1
  C  C73  1  0.92522177  0.43029323  0.82841251  1
  C  C74  1  0.07477556  0.56970936  0.17159632  1
  S  S75  1  0.55789670  0.83172618  0.35192116  1
  S  S76  1  0.44210898  0.16826902  0.64808752  1
  S  S77  1  0.55591119  0.82274086  0.53281483  1
  S  S78  1  0.44408553  0.17724730  0.46719102  1
  N  N79  1  0.92398978  0.52657224  0.74283464  1
  N  N80  1  0.07600720  0.47342564  0.25716881  1
  O  O81  1  0.74610572  0.73902573  0.05537831  1
  O  O82  1  0.25390062  0.26098700  0.94462650  1
  O  O83  1  0.58691059  0.86833596  0.11998629  1
  O  O84  1  0.41308277  0.13166951  0.88001562  1
  O  O85  1  0.58923730  0.82173775  0.78018445  1
  O  O86  1  0.41075568  0.17827046  0.21981820  1
  O  O87  1  0.38931835  0.88544268  0.85420171  1
  O  O88  1  0.61067361  0.11456483  0.14580026  1
  O  O89  1  0.72093809  0.01667966  0.96863188  1
  O  O90  1  0.27905790  0.98332611  0.03137155  1
  O  O91  1  0.91881564  0.12493734  0.92811555  1
  O  O92  1  0.08118086  0.87506820  0.07188783  1
  O  O93  1  0.91697404  0.67179179  0.88396866  1
  O  O94  1  0.08301959  0.32821606  0.11602494  1
  O  O95  1  0.90173693  0.93185512  0.78679910  1
  O  O96  1  0.09825310  0.06815103  0.21319650  1
