data_NbSb2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.9
_cell_length_b   8.9
_cell_length_c   8.9
_cell_angle_alpha   21.27
_cell_angle_beta   21.27
_cell_angle_gamma   21.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSb2Pt
_chemical_formula_sum   'Nb1 Sb2 Pt1'
_cell_volume   81.3
_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
  Sb  Sb2  1  0.0  0.0  0.63  1.0
  Sb  Sb3  1  0.0  0.0  0.46  1.0
  Pt  Pt1  1  0.0  0.0  0.05  1.0

data_NbSb2Pt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.69
_cell_length_b   3.29
_cell_length_c   8.9
_cell_angle_alpha   90.0
_cell_angle_beta   102.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbSb2Pt
_chemical_formula_sum   'Nb2 Sb4 Pt2'
_cell_volume   162.61
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Sb  Sb1  2  0.0  0.0  0.37  1.0
  Sb  Sb2  2  0.0  0.0  0.54  1.0
  Pt  Pt3  2  0.0  0.0  0.95  1.0

Nb Sb Sb Pt
Nb Sb Sb Pt 0 3 o o o 1 2 o o o 