data_Ni2TeCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.3
_cell_length_b   3.3
_cell_length_c   6.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2TeCl
_chemical_formula_sum   'Ni2 Te1 Cl1'
_cell_volume   75.16
_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  0.65  0.65  0.23  1.0
  Ni  Ni2  1  0.0  0.0  0.44  1.0
  Te  Te3  1  0.65  0.65  0.68  1.0
  Cl  Cl0  1  0.0  0.0  0.99  1.0

data_Ni2TeCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   6.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ni2TeCl
_chemical_formula_sum   'Ni4 Te2 Cl2'
_cell_volume   150.32
_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  0.44  1.0
  Ni  Ni1  2  0.15  0.5  0.23  1.0
  Te  Te2  2  0.15  0.5  0.68  1.0
  Cl  Cl3  2  0.0  0.0  0.99  1.0

Ni Ni Te Cl
Ni2TeCl crystallizes in the monoclinic Cm space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted single-bond geometry to three equivalent Ni(2) and one Cl(1) atom. There is one shorter (2.17 Å) and two longer (2.83 Å) Ni(1)-Ni(2) bond lengths. The Ni(1)-Cl(1) bond length is 2.34 Å. In the second Ni site, Ni(2) is bonded in a 6-coordinate geometry to three equivalent Ni(1) and three equivalent Te(1) atoms. There is one shorter (2.30 Å) and two longer (2.93 Å) Ni(2)-Te(1) bond lengths. Te(1) is bonded in a 2-coordinate geometry to three equivalent Ni(2) and one Cl(1) atom. The Te(1)-Cl(1) bond length is 2.71 Å. Cl(1) is bonded in a 2-coordinate geometry to one Ni(1) and one Te(1) atom.