data_image0
_chemical_formula_structural       NbSNb2SNb
_chemical_formula_sum              "Nb4 S2"
_cell_length_a       3.3382147121066907
_cell_length_b       3.3382147121066885
_cell_length_c       37.206856
_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  0.5000000011822651  0.5000000011822654  0.43357403135594147  1.0000
  S   S1        1.0  2.2066856113682566e-18  0.0  0.40749167572772066  1.0000
  Nb  Nb2       1.0  2.597202369412516e-18  0.0  0.4796054047135829  1.0000
  Nb  Nb3       1.0  3.0673609041951327e-18  0.0  0.5664259686440585  1.0000
  S   S2        1.0  0.5000000011822651  0.5000000011822654  0.5925083242722792  1.0000
  Nb  Nb4       1.0  0.5000000011822651  0.5000000011822654  0.5203945952864171  1.0000