data_NbSb2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   5.51
_cell_angle_alpha   99.78
_cell_angle_beta   99.78
_cell_angle_gamma   37.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSb2Cl
_chemical_formula_sum   'Nb1 Sb2 Cl1'
_cell_volume   93.88
_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  0.53  0.0  0.71  1.0
  Sb  Sb2  1  0.53  0.0  0.58  1.0
  Sb  Sb3  1  0.54  0.0  0.84  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_NbSb2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   5.32
_cell_length_c   5.51
_cell_angle_alpha   99.78
_cell_angle_beta   90.0
_cell_angle_gamma   108.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSb2Cl
_chemical_formula_sum   'Nb1 Sb2 Cl1'
_cell_volume   93.88
_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  0.47  0.29  1.0
  Sb  Sb1  1  0.0  0.46  0.16  1.0
  Sb  Sb2  1  0.0  0.47  0.42  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

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