data_image0
_chemical_formula_structural       Nb2S2
_chemical_formula_sum              "Nb2 S2"
_cell_length_a       3.408235263813286
_cell_length_b       3.4069760523016392
_cell_length_c       18.599472209314165
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    93.47824486753

_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  0.7991635461335115  0.7072522107152707  0.45621152011780053  1.0000
  Nb  Nb2       1.0  0.2085077848436321  0.2975938126629471  0.5438047362943402  1.0000
  S   S1        1.0  0.2553634433466631  0.2506397838515105  0.40319604963008393  1.0000
  S   S2        1.0  0.7523468072122204  0.7542069951953885  0.5968092790526185  1.0000