# generated using pymatgen
data_CrH8C10(SN)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.54615832
_cell_length_b   7.54493428
_cell_length_c   11.36364649
_cell_angle_alpha   73.35137504
_cell_angle_beta   73.35355257
_cell_angle_gamma   84.75890087
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrH8C10(SN)2
_chemical_formula_sum   'Cr2 H16 C20 S4 N4'
_cell_volume   593.86154203
_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  0.61151140  0.38834000  0.25001699  1
  Cr  Cr1  1  0.38839728  0.61144739  0.75003891  1
  H  H2  1  0.31985076  0.51881795  0.13325603  1
  H  H3  1  0.48111488  0.68026049  0.36665198  1
  H  H4  1  0.68018699  0.48106013  0.86675214  1
  H  H5  1  0.51892748  0.31972671  0.63329265  1
  H  H6  1  0.98497983  0.47593979  0.18185977  1
  H  H7  1  0.52411492  0.01514441  0.31803990  1
  H  H8  1  0.01498196  0.52411178  0.81814529  1
  H  H9  1  0.47582310  0.98488806  0.68192528  1
  H  H10  1  0.99127857  0.15202936  0.56450997  1
  H  H11  1  0.84809994  0.00877988  0.93545450  1
  H  H12  1  0.00872395  0.84802362  0.43553409  1
  H  H13  1  0.15195856  0.99120744  0.06453085  1
  H  H14  1  0.32841974  0.20235965  0.50153821  1
  H  H15  1  0.79767189  0.67163090  0.99843394  1
  H  H16  1  0.67160106  0.79762143  0.49849458  1
  H  H17  1  0.20239002  0.32835623  0.00158984  1
  C  C18  1  0.24342648  0.43680586  0.22717316  1
  C  C19  1  0.56319080  0.75664097  0.27274705  1
  C  C20  1  0.75653829  0.56317090  0.77284503  1
  C  C21  1  0.43679230  0.24338018  0.72719315  1
  C  C22  1  0.05430216  0.41249972  0.25556953  1
  C  C23  1  0.58749442  0.94580590  0.24432676  1
  C  C24  1  0.94566315  0.58748772  0.74442942  1
  C  C25  1  0.41245976  0.05423341  0.75562598  1
  C  C26  1  0.95865968  0.30697896  0.37740502  1
  C  C27  1  0.69305849  0.04147451  0.12251898  1
  C  C28  1  0.04133716  0.69301451  0.62261745  1
  C  C29  1  0.30695651  0.95857737  0.87745705  1
  C  C30  1  0.05831764  0.23266769  0.46816294  1
  C  C31  1  0.76732025  0.94178065  0.03177016  1
  C  C32  1  0.94168793  0.76732156  0.53186225  1
  C  C33  1  0.23266093  0.05823988  0.96821009  1
  C  C34  1  0.24753595  0.26069362  0.43373607  1
  C  C35  1  0.73928452  0.75252655  0.06621740  1
  C  C36  1  0.75246940  0.73929045  0.56629921  1
  C  C37  1  0.26069859  0.24748374  0.93377221  1
  S  S38  1  0.72153262  0.26326461  0.41973262  1
  S  S39  1  0.73701110  0.27859563  0.08018249  1
  S  S40  1  0.27847514  0.73689743  0.58036956  1
  S  S41  1  0.26306093  0.72144895  0.91967281  1
  N  N42  1  0.34057282  0.36019816  0.31389210  1
  N  N43  1  0.63989209  0.65943756  0.18608690  1
  N  N44  1  0.65939506  0.63980525  0.68614601  1
  N  N45  1  0.36018562  0.34052997  0.81390564  1
