data_NbSnSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   5.53
_cell_angle_alpha   99.06
_cell_angle_beta   99.06
_cell_angle_gamma   37.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSnSb2
_chemical_formula_sum   'Nb1 Sn1 Sb2'
_cell_volume   94.88
_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  0.0  0.0  1.0
  Sn  Sn3  1  0.61  0.0  0.73  1.0
  Sb  Sb1  1  0.08  0.0  0.29  1.0
  Sb  Sb2  1  0.14  0.0  0.16  1.0

data_NbSnSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   5.35
_cell_length_c   5.53
_cell_angle_alpha   99.06
_cell_angle_beta   90.0
_cell_angle_gamma   108.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSnSb2
_chemical_formula_sum   'Nb1 Sn1 Sb2'
_cell_volume   94.88
_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  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.39  0.27  1.0
  Sb  Sb2  1  0.0  0.86  0.84  1.0
  Sb  Sb3  1  0.0  0.92  0.71  1.0

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