data_Nb2SnSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   5.55
_cell_angle_alpha   141.55
_cell_angle_beta   129.34
_cell_angle_gamma   65.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2SnSb
_chemical_formula_sum   'Nb2 Sn1 Sb1'
_cell_volume   80.88
_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  0.83  0.0  0.06  1.0
  Nb  Nb1  1  0.0  0.0  0.3  1.0
  Sn  Sn3  1  0.0  0.0  0.09  1.0
  Sb  Sb2  1  0.83  0.0  0.55  1.0

data_Nb2SnSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.65
_cell_length_b   4.74
_cell_length_c   5.55
_cell_angle_alpha   115.33
_cell_angle_beta   109.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2SnSb
_chemical_formula_sum   'Nb2 Sn1 Sb1'
_cell_volume   80.88
_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  0.06  0.24  1.0
  Nb  Nb1  1  0.0  0.3  0.3  1.0
  Sn  Sn2  1  0.0  0.09  0.09  1.0
  Sb  Sb3  1  0.0  0.55  0.72  1.0

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