data_NbSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.39
_cell_length_b   4.87
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSb
_chemical_formula_sum   'Nb4 Sb4'
_cell_volume   165.06
_cell_formula_units_Z   4
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  0.2  0.65  0.41  1.0
  Nb  Nb1  1  1.0  0.22  0.76  1.0
  Nb  Nb2  1  0.39  0.65  0.55  1.0
  Nb  Nb3  1  0.19  0.22  0.89  1.0
  Sb  Sb4  1  0.29  0.65  0.71  1.0
  Sb  Sb5  1  0.91  0.22  0.37  1.0
  Sb  Sb6  1  0.48  0.65  0.94  1.0
  Sb  Sb7  1  0.1  0.22  0.59  1.0

data_NbSb
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.87
_cell_length_b   5.31
_cell_length_c   6.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   NbSb
_chemical_formula_sum   'Nb4 Sb4'
_cell_volume   165.06
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.22  0.39  0.2  1.0
  Nb  Nb1  2  0.22  0.26  0.0  1.0
  Sb  Sb2  2  0.22  0.79  0.29  1.0
  Sb  Sb3  2  0.22  0.56  0.09  1.0

Nb Nb Nb Nb Sb Sb Sb Sb
Nb Nb Nb Nb Sb Sb Sb Sb 0 4 o o o 0 2 o o o 1 7 + o o 1 3 + o o 2 4 o o o 3 7 o o o 4 6 o o o 5 7 + o o 