data_image0
_chemical_formula_structural       NbMoNbMoS8
_chemical_formula_sum              "Nb2 Mo2 S8"
_cell_length_a       6.559844726019842
_cell_length_b       6.566025072330702
_cell_length_c       33.19
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    120.08869695776475

_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  0.49999999999999944  0.9999999999999994  0.5  1.0000
  Mo  Mo1       1.0  4.440892098500626e-16  0.9999999999999994  0.5  1.0000
  Nb  Nb2       1.0  0.5000000000000002  0.4999999999999997  0.5  1.0000
  Mo  Mo2       1.0  0.0  0.4999999999999994  0.5  1.0000
  S   S1        1.0  0.32982355251944134  0.1649146360068557  0.5474657504439485  1.0000
  S   S2        1.0  0.8381561405927779  0.169081744977011  0.5467822411462616  1.0000
  S   S3        1.0  0.32982355156015625  0.6649146354389931  0.5474657505401376  1.0000
  S   S4        1.0  0.8381561406047743  0.669081744433211  0.5467822411086699  1.0000
  S   S5        1.0  0.16184385939522483  0.33091825556678783  0.45321775889132976  1.0000
  S   S6        1.0  0.6701764484398433  0.33508536456100574  0.45253424945986187  1.0000
  S   S7        1.0  0.16184385940722104  0.8309182550229881  0.45321775885373816  1.0000
  S   S8        1.0  0.6701764474805579  0.8350853639931438  0.4525342495560512  1.0000