# generated using pymatgen
data_CrH8C10(SN3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.28041175
_cell_length_b   6.90466157
_cell_length_c   7.37614018
_cell_angle_alpha   91.08384006
_cell_angle_beta   109.91226205
_cell_angle_gamma   111.29909300
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrH8C10(SN3)2
_chemical_formula_sum   'Cr1 H8 C10 S2 N6'
_cell_volume   320.47590590
_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  0.00002265  0.00002700  0.00001206  1
  H  H1  1  0.73037544  0.56731681  0.73822836  1
  H  H2  1  0.33179640  0.19500908  0.45968110  1
  H  H3  1  0.26962982  0.43272321  0.26184517  1
  H  H4  1  0.66815002  0.80486759  0.54023568  1
  H  H5  1  0.26482437  0.78661690  0.26199590  1
  H  H6  1  0.68372402  0.79261197  0.21974790  1
  H  H7  1  0.73520277  0.21342786  0.73806350  1
  H  H8  1  0.31622249  0.20730354  0.78017887  1
  C  C9  1  0.48974298  0.22906087  0.21122537  1
  C  C10  1  0.51028410  0.77098945  0.78879441  1
  C  C11  1  0.85051419  0.53873479  0.85680067  1
  C  C12  1  0.17998039  0.10744823  0.47252421  1
  C  C13  1  0.14951679  0.46131333  0.14325186  1
  C  C14  1  0.81996459  0.89247076  0.52740264  1
  C  C15  1  0.14737941  0.66051222  0.14283886  1
  C  C16  1  0.82720144  0.89011094  0.34176453  1
  C  C17  1  0.85265807  0.33953846  0.85720891  1
  C  C18  1  0.17273929  0.10981767  0.65816045  1
  S  S19  1  0.71975002  0.37867514  0.36256117  1
  S  S20  1  0.28028161  0.62137559  0.63748138  1
  N  N21  1  0.99888472  0.70165560  0.99905544  1
  N  N22  1  0.00630146  1.00003920  0.31011167  1
  N  N23  1  0.00116310  0.29839785  0.00098118  1
  N  N24  1  0.99363371  -0.00009853  0.68981207  1
  N  N25  1  0.31245060  0.12001099  0.10466887  1
  N  N26  1  0.68759629  0.88004754  0.89534996  1
