data_CoTeCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41
_cell_length_b   6.41
_cell_length_c   5.57
_cell_angle_alpha   112.43
_cell_angle_beta   112.43
_cell_angle_gamma   27.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoTeCl2
_chemical_formula_sum   'Co1 Te1 Cl2'
_cell_volume   96.83
_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
  Co  Co2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.13  0.0  0.56  1.0
  Cl  Cl0  1  0.71  0.0  0.68  1.0
  Cl  Cl1  1  0.55  0.0  0.44  1.0

data_CoTeCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   5.57
_cell_length_c   6.41
_cell_angle_alpha   112.43
_cell_angle_beta   103.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoTeCl2
_chemical_formula_sum   'Co1 Te1 Cl2'
_cell_volume   96.83
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.0  0.56  0.13  1.0
  Cl  Cl2  1  0.0  0.44  0.55  1.0
  Cl  Cl3  1  0.0  0.68  0.71  1.0

Co Te Cl Cl
Co Te Cl Cl 0 2 - o - 0 1 o o o 0 1 o o - 1 1 + - o 1 3 - o o 1 3 o o o 1 2 - o o 1 2 o o o 2 3 o o o 
CoTeCl2 crystallizes in the triclinic P1 space group. Co(1) is bonded in a distorted single-bond geometry to two equivalent Te(1) and one Cl(1) atom. There is one shorter (2.88 Å) and one longer (2.91 Å) Co(1)-Te(1) bond length. The Co(1)-Cl(1) bond length is 2.01 Å. Te(1) is bonded to two equivalent Co(1), two equivalent Te(1), one Cl(1), and one Cl(2) atom to form distorted corner-sharing TeCo2Te2Cl2 octahedra. The corner-sharing octahedral tilt angles range from 0-31°. Both Te(1)-Te(1) bond lengths are 3.04 Å. The Te(1)-Cl(1) bond length is 2.99 Å. The Te(1)-Cl(2) bond length is 2.99 Å. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 2-coordinate geometry to one Co(1), one Te(1), and one Cl(2) atom. The Cl(1)-Cl(2) bond length is 1.34 Å. In the second Cl site, Cl(2) is bonded in a water-like geometry to one Te(1) and one Cl(1) atom.