data_Nb2SbPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   4.39
_cell_length_c   6.36
_cell_angle_alpha   90.0
_cell_angle_beta   101.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2SbPb
_chemical_formula_sum   'Nb2 Sb1 Pb1'
_cell_volume   87.62
_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  0.05  0.2  0.31  1.0
  Nb  Nb1  1  0.87  0.2  0.92  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.96  0.0  0.12  1.0

data_Nb2SbPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.39
_cell_length_c   6.36
_cell_angle_alpha   90.0
_cell_angle_beta   101.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2SbPb
_chemical_formula_sum   'Nb2 Sb1 Pb1'
_cell_volume   87.62
_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  0.05  0.2  0.31  1.0
  Nb  Nb1  1  0.87  0.2  0.92  1.0
  Sb  Sb2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.96  0.0  0.12  1.0

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