data_Ta2BiCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.39
_cell_length_b   3.39
_cell_length_c   8.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2BiCl
_chemical_formula_sum   'Ta2 Bi1 Cl1'
_cell_volume   95.76
_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  Ta2  1  0.69  0.69  0.32  1.0
  Ta  Ta3  1  0.0  0.0  0.68  1.0
  Bi  Bi0  1  0.69  0.69  0.67  1.0
  Cl  Cl1  1  0.0  0.0  0.87  1.0

data_Ta2BiCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   8.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ta2BiCl
_chemical_formula_sum   'Ta4 Bi2 Cl2'
_cell_volume   191.53
_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  2  0.0  0.0  0.68  1.0
  Ta  Ta1  2  0.19  0.5  0.32  1.0
  Bi  Bi2  2  0.19  0.5  0.67  1.0
  Cl  Cl3  2  0.0  0.0  0.87  1.0

Ta Ta Bi Cl
Ta Ta Bi Cl 0 0 + o o 0 0 o + o 0 1 + + o 0 2 o o o 1 2 - - o 1 3 o o o 
Ta2BiCl crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Ta2BiCl clusters. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a distorted single-bond geometry to one Bi(1) atom. The Ta(1)-Bi(1) bond length is 2.93 Å. In the second Ta site, Ta(2) is bonded in a distorted L-shaped geometry to one Bi(1) and one Cl(1) atom. The Ta(2)-Bi(1) bond length is 1.48 Å. The Ta(2)-Cl(1) bond length is 1.64 Å. Bi(1) is bonded in a distorted single-bond geometry to one Ta(1) and one Ta(2) atom. Cl(1) is bonded in a single-bond geometry to one Ta(2) atom.