data_Nb2S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62
_cell_length_b   5.62
_cell_length_c   3.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2S
_chemical_formula_sum   'Nb4 S2'
_cell_volume   110.07
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  '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  Nb0  1  0.66  0.66  0.0  1.0
  Nb  Nb1  1  0.96  0.96  0.0  1.0
  Nb  Nb2  1  0.47  0.15  0.74  1.0
  Nb  Nb3  1  0.15  0.47  0.74  1.0
  S  S4  1  0.0  0.0  0.0  1.0
  S  S5  1  0.81  0.81  0.74  1.0

data_Nb2S
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.94
_cell_length_b   7.94
_cell_length_c   3.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Nb2S
_chemical_formula_sum   'Nb8 S4'
_cell_volume   220.14
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  Nb0  4  0.31  0.16  0.74  1.0
  Nb  Nb1  2  0.16  0.5  0.0  1.0
  Nb  Nb2  2  0.46  0.5  0.0  1.0
  S  S3  2  0.0  0.0  0.0  1.0
  S  S4  2  0.31  0.5  0.74  1.0

Nb Nb Nb Nb S S