data_NbSn2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78
_cell_length_b   5.78
_cell_length_c   5.78
_cell_angle_alpha   141.88
_cell_angle_beta   129.0
_cell_angle_gamma   65.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSn2Sb
_chemical_formula_sum   'Nb1 Sn2 Sb1'
_cell_volume   91.14
_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  Sn2  1  0.89  0.0  0.39  1.0
  Sn  Sn3  1  0.0  0.49  0.47  1.0
  Sb  Sb1  1  0.0  0.0  0.86  1.0

data_NbSn2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   4.97
_cell_length_c   5.78
_cell_angle_alpha   115.5
_cell_angle_beta   109.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSn2Sb
_chemical_formula_sum   'Nb1 Sn2 Sb1'
_cell_volume   91.14
_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  0.5  0.61  0.5  1.0
  Sn  Sn2  1  0.53  0.01  0.01  1.0
  Sb  Sb3  1  0.14  0.14  0.14  1.0

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