data_NiSb2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24
_cell_length_b   3.24
_cell_length_c   7.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiSb2Cl
_chemical_formula_sum   'Ni1 Sb2 Cl1'
_cell_volume   83.53
_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
  Ni  Ni1  1  0.0  0.0  0.98  1.0
  Sb  Sb2  1  0.23  0.0  0.6  1.0
  Sb  Sb3  1  0.23  0.0  0.36  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_NiSb2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   3.24
_cell_length_c   7.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiSb2Cl
_chemical_formula_sum   'Ni1 Sb2 Cl1'
_cell_volume   83.53
_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
  Ni  Ni0  1  0.0  0.0  0.98  1.0
  Sb  Sb1  1  0.23  0.0  0.36  1.0
  Sb  Sb2  1  0.23  0.0  0.6  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Ni Sb Sb Cl
NiSb2Cl crystallizes in the triclinic P1 space group. Ni(1) is bonded in a single-bond geometry to one Sb(1) and one Cl(1) atom. The Ni(1)-Sb(1) bond length is 3.11 Å. The Ni(1)-Cl(1) bond length is 0.18 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one Ni(1), one Sb(2), and four equivalent Sb(1) atoms to form a mixture of distorted edge and corner-sharing SbNiSb5 octahedra. The corner-sharing octahedra are not tilted. The Sb(1)-Sb(2) bond length is 1.91 Å. All Sb(1)-Sb(1) bond lengths are 3.24 Å. In the second Sb site, Sb(2) is bonded in a distorted linear geometry to one Sb(1) and one Cl(1) atom. The Sb(2)-Cl(1) bond length is 2.94 Å. Cl(1) is bonded in a single-bond geometry to one Ni(1) and one Sb(2) atom.