data_image0
_chemical_formula_structural       Nb2S2
_chemical_formula_sum              "Nb2 S2"
_cell_length_a       3.88961560264893
_cell_length_b       3.889615593714866
_cell_length_c       18.10630952
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    90.0

_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  0.0  0.0  0.5000000008552432  1.0000
  Nb  Nb2       1.0  0.500000000683613  0.500000000683613  0.4999999991262544  1.0000
  S   S1        1.0  1.0050853875323691e-19  0.500000000683613  0.4110171104132254  1.0000
  S   S2        1.0  0.500000000683613  4.272799681505027e-20  0.5889828895732611  1.0000