data_Te2WCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   4.9
_cell_angle_alpha   119.31
_cell_angle_beta   119.31
_cell_angle_gamma   91.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te2WCl
_chemical_formula_sum   'Te2 W1 Cl1'
_cell_volume   84.16
_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
  Te  Te1  1  0.48  0.0  0.71  1.0
  Te  Te2  1  0.0  0.48  0.71  1.0
  W  W3  1  0.0  0.0  0.43  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Te2WCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.86
_cell_length_b   7.01
_cell_length_c   4.9
_cell_angle_alpha   90.0
_cell_angle_beta   134.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Te2WCl
_chemical_formula_sum   'Te4 W2 Cl2'
_cell_volume   168.33
_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
  Te  Te0  4  0.26  0.26  0.29  1.0
  W  W1  2  0.0  0.0  0.57  1.0
  Cl  Cl2  2  0.0  0.0  0.0  1.0

Te Te W Cl
Te Te W Cl 0 2 o o o 0 3 + o + 1 3 o + + 1 2 o o o 2 3 o o o 
WTe2Cl crystallizes in the monoclinic Cm space group. W(1) is bonded in a 4-coordinate geometry to two equivalent Te(1) and two equivalent Cl(1) atoms. Both W(1)-Te(1) bond lengths are 2.05 Å. There is one shorter (2.11 Å) and one longer (2.80 Å) W(1)-Cl(1) bond length. Te(1) is bonded in a linear geometry to one W(1) and one Cl(1) atom. The Te(1)-Cl(1) bond length is 2.24 Å. Cl(1) is bonded in a distorted see-saw-like geometry to two equivalent W(1) and two equivalent Te(1) atoms.