data_image0
_chemical_formula_structural       NbS2Nb
_chemical_formula_sum              "Nb2 S2"
_cell_length_a       3.24051397151938
_cell_length_b       3.24051397151938
_cell_length_c       20.723750175738246
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    120.00000000000001

_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  0.3333578278469838  0.6666891784126617  0.5644739133023872  1.0000
  S   S1        1.0  0.6666770617074262  0.3333795365191019  0.3619036099354458  1.0000
  S   S2        1.0  2.0348806424185362e-05  1.525103223654976e-05  0.6380963902702002  1.0000
  Nb  Nb2       1.0  0.3334318164847009  0.6668900608758243  0.4355260960714836  1.0000