data_image0
_chemical_formula_structural       NbCrNbCrS8
_chemical_formula_sum              "Nb2 Cr2 S8"
_cell_length_a       6.425218949103923
_cell_length_b       6.454559293561709
_cell_length_c       33.19
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    120.16626610713749

_space_group_name_H-M_alt    "P 1"
_space_group_IT_number       1

loop_
  _space_group_symop_operation_xyz
  '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
  Nb  Nb1       1.0  0.4949283419441564  0.9974644437130892  0.5  1.0000
  Cr  Cr1       1.0  0.007276750128079934  0.003626750869641482  0.5  1.0000
  Nb  Nb2       1.0  0.49492833652981716  0.4974642880394675  0.5  1.0000
  Cr  Cr2       1.0  0.007277307526958543  0.5036270345029293  0.5  1.0000
  S   S1        1.0  0.31904422137311467  0.15951945210384602  0.5471536435897068  1.0000
  S   S2        1.0  0.8465039614846683  0.173259475147  0.5443098464610999  1.0000
  S   S3        1.0  0.31904419734345485  0.6595194334216121  0.547153673388885  1.0000
  S   S4        1.0  0.846503958127209  0.6732592618591642  0.5443098471414846  1.0000
  S   S5        1.0  0.31904422137311467  0.15951945210384602  0.45284635641029336  1.0000
  S   S6        1.0  0.8465039614846683  0.173259475147  0.4556901535389004  1.0000
  S   S7        1.0  0.31904419734345485  0.6595194334216121  0.4528463266111147  1.0000
  S   S8        1.0  0.846503958127209  0.6732592618591642  0.45569015285851555  1.0000