data_Nb2SbCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97
_cell_length_b   4.71
_cell_length_c   5.78
_cell_angle_alpha   90.0
_cell_angle_beta   104.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2SbCl
_chemical_formula_sum   'Nb2 Sb1 Cl1'
_cell_volume   78.52
_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  Nb1  1  0.17  0.35  0.41  1.0
  Nb  Nb2  1  0.01  0.0  0.17  1.0
  Sb  Sb3  1  0.63  0.35  0.68  1.0
  Cl  Cl0  1  0.12  0.0  0.76  1.0

data_Nb2SbCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   4.71
_cell_length_c   5.78
_cell_angle_alpha   90.0
_cell_angle_beta   104.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2SbCl
_chemical_formula_sum   'Nb2 Sb1 Cl1'
_cell_volume   78.52
_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  0.01  0.0  0.17  1.0
  Nb  Nb1  1  0.17  0.35  0.41  1.0
  Sb  Sb2  1  0.63  0.35  0.68  1.0
  Cl  Cl3  1  0.12  0.0  0.76  1.0

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