data_image0
_chemical_formula_structural       MoNbMoNbS8
_chemical_formula_sum              "Mo2 Nb2 S8"
_cell_length_a       6.562455752244122
_cell_length_b       6.558353985691228
_cell_length_c       33.19
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    120.00692282915585

_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
  Mo  Mo1       1.0  0.5025200305300627  0.0012571691993019662  0.5  1.0000
  Nb  Nb1       1.0  0.9961839672002547  0.9980888000434937  0.5  1.0000
  Mo  Mo2       1.0  0.5025200305353101  0.5012571688659795  0.5  1.0000
  Nb  Nb2       1.0  0.99618396639443  0.49808879965908187  0.5  1.0000
  S   S1        1.0  0.33846215841485805  0.1692325175268069  0.5462405219145494  1.0000
  S   S2        1.0  0.8288528675624325  0.16442750989659052  0.5470594210041793  1.0000
  S   S3        1.0  0.3384621578929416  0.6692325173434023  0.5462405217863691  1.0000
  S   S4        1.0  0.8288528675934953  0.6644275100290673  0.5470594210010675  1.0000
  S   S5        1.0  0.33846215841485805  0.1692325175268069  0.45375947808545075  1.0000
  S   S6        1.0  0.8288528675624325  0.16442750989659052  0.45294057899582046  1.0000
  S   S7        1.0  0.3384621578929416  0.6692325173434023  0.4537594782136312  1.0000
  S   S8        1.0  0.8288528675934953  0.6644275100290673  0.4529405789989326  1.0000