data_NiSeCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.93
_cell_length_b   7.93
_cell_length_c   7.93
_cell_angle_alpha   25.3
_cell_angle_beta   25.3
_cell_angle_gamma   25.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiSeCl2
_chemical_formula_sum   'Ni1 Se1 Cl2'
_cell_volume   80.02
_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  Ni2  1  0.0  0.0  0.37  1.0
  Se  Se3  1  0.0  0.0  0.7  1.0
  Cl  Cl0  1  0.0  0.0  0.45  1.0
  Cl  Cl1  1  0.0  0.0  0.99  1.0

data_NiSeCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.01
_cell_length_b   3.47
_cell_length_c   7.93
_cell_angle_alpha   90.0
_cell_angle_beta   104.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NiSeCl2
_chemical_formula_sum   'Ni2 Se2 Cl4'
_cell_volume   160.04
_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
  Ni  Ni0  2  0.0  0.0  0.63  1.0
  Se  Se1  2  0.0  0.0  0.3  1.0
  Cl  Cl2  2  0.0  0.0  0.01  1.0
  Cl  Cl3  2  0.0  0.0  0.55  1.0

Ni Se Cl Cl
NiSeCl2 is Indium-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two NiSeCl2 clusters. Ni(1) is bonded in a single-bond geometry to one Cl(1) atom. The Ni(1)-Cl(1) bond length is 0.65 Å. Se(1) is bonded in a linear geometry to one Cl(1) and one Cl(2) atom. The Se(1)-Cl(1) bond length is 2.00 Å. The Se(1)-Cl(2) bond length is 2.24 Å. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted single-bond geometry to one Ni(1) and one Se(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Se(1) atom.