data_image0
_chemical_formula_structural       Nb2S2
_chemical_formula_sum              "Nb2 S2"
_cell_length_a       3.20527118496216
_cell_length_b       3.205271184962161
_cell_length_c       20.85525272408919
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    119.99999999999999

_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  0.6666666657607837  0.3333333330696922  0.43412100298081624  1.0000
  Nb  Nb2       1.0  0.6666666657607837  0.3333333330696922  0.5658790884067508  1.0000
  S   S1        1.0  0.3333333330696922  0.6666666661393844  0.3597730849520398  1.0000
  S   S2        1.0  0.3333333330696922  0.6666666661393844  0.6402269714323552  1.0000