data_NbSbPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86
_cell_length_b   5.86
_cell_length_c   5.86
_cell_angle_alpha   150.45
_cell_angle_beta   144.56
_cell_angle_gamma   46.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSbPt
_chemical_formula_sum   'Nb1 Sb1 Pt1'
_cell_volume   57.49
_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  0.62  1.0
  Sb  Sb2  1  0.0  0.0  0.17  1.0
  Pt  Pt1  1  0.0  0.0  0.74  1.0

data_NbSbPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   3.57
_cell_length_c   5.86
_cell_angle_alpha   107.72
_cell_angle_beta   104.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSbPt
_chemical_formula_sum   'Nb1 Sb1 Pt1'
_cell_volume   57.49
_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  0.62  0.62  1.0
  Sb  Sb1  1  0.0  0.17  0.17  1.0
  Pt  Pt2  1  0.0  0.74  0.74  1.0

Nb Sb Pt
Nb Sb Pt 0 2 o o o 0 1 o o + 0 1 o o o 1 1 o + + 1 2 o o - 