data_Nb2BSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   142.94
_cell_angle_beta   118.01
_cell_angle_gamma   74.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2BSb
_chemical_formula_sum   'Nb2 B1 Sb1'
_cell_volume   66.78
_cell_formula_units_Z   1
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  Nb1  1  0.0  0.6  0.48  1.0
  Nb  Nb2  1  0.6  0.0  0.53  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.0  0.0  0.01  1.0

data_Nb2BSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   61.99
_cell_angle_beta   71.47
_cell_angle_gamma   71.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2BSb
_chemical_formula_sum   'Nb2 B1 Sb1'
_cell_volume   66.78
_cell_formula_units_Z   1
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  0.0  0.4  0.53  1.0
  Nb  Nb1  1  0.6  -0.0  0.89  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.0  0.0  0.01  1.0

Nb Nb B Sb
Nb Nb B Sb 0 3 o + + 0 3 o o o 0 2 o + + 0 2 o o o 0 1 - + o 0 1 - o - 1 3 + o + 1 2 + o + 2 3 o o o 