data_Ta2WCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   4.66
_cell_angle_alpha   120.97
_cell_angle_beta   120.97
_cell_angle_gamma   88.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2WCl
_chemical_formula_sum   'Ta2 W1 Cl1'
_cell_volume   70.32
_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
  Ta  Ta1  1  0.29  0.0  0.67  1.0
  Ta  Ta2  1  0.0  0.29  0.67  1.0
  W  W3  1  0.0  0.0  0.34  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Ta2WCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.49
_cell_length_b   6.49
_cell_length_c   4.66
_cell_angle_alpha   90.0
_cell_angle_beta   134.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ta2WCl
_chemical_formula_sum   'Ta4 W2 Cl2'
_cell_volume   140.64
_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
  Ta  Ta0  4  0.48  0.15  0.62  1.0
  W  W1  2  0.16  0.5  0.66  1.0
  Cl  Cl2  2  0.0  0.0  0.0  1.0

Ta Ta W Cl
Ta Ta W Cl 0 2 o o o 1 2 o o o 2 3 o o o 
Ta2WCl crystallizes in the monoclinic Cm space group. Ta(1) is bonded in a distorted single-bond geometry to one W(1) and two equivalent Cl(1) atoms. The Ta(1)-W(1) bond length is 1.44 Å. There is one shorter (2.53 Å) and one longer (2.82 Å) Ta(1)-Cl(1) bond length. W(1) is bonded in a distorted trigonal planar geometry to two equivalent Ta(1) and one Cl(1) atom. The W(1)-Cl(1) bond length is 1.58 Å. Cl(1) is bonded in a distorted single-bond geometry to four equivalent Ta(1) and one W(1) atom.