data_ThBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   9.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThBi2
_chemical_formula_sum   'Th2 Bi4'
_cell_volume   192.84
_cell_formula_units_Z   2
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
  Th  Th4  1  0.0  0.27  0.61  1.0
  Th  Th5  1  0.27  0.0  0.72  1.0
  Bi  Bi0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.27  0.27  0.0  1.0
  Bi  Bi2  1  0.27  0.0  0.37  1.0
  Bi  Bi3  1  0.0  0.27  0.96  1.0

data_ThBi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.43
_cell_length_b   6.43
_cell_length_c   9.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ThBi2
_chemical_formula_sum   'Th4 Bi8'
_cell_volume   385.69
_cell_formula_units_Z   4
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
  Th  Th0  2  0.0  0.0  0.61  1.0
  Th  Th1  2  0.27  0.0  0.72  1.0
  Bi  Bi2  4  0.14  0.14  0.0  1.0
  Bi  Bi3  2  0.0  0.0  0.96  1.0
  Bi  Bi4  2  0.27  0.0  0.37  1.0

Th Th Bi Bi Bi Bi
Th Th Bi Bi Bi Bi 0 1 o o o 0 4 o o o 1 4 o o o 2 5 o o - 3 5 o o - 
Bi2Th crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Bi2Th clusters. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a 2-coordinate geometry to one Th(2) and one Bi(2) atom. The Th(1)-Th(2) bond length is 2.05 Å. The Th(1)-Bi(2) bond length is 2.83 Å. In the second Th site, Th(2) is bonded in a 5-coordinate geometry to one Th(1), one Bi(2), one Bi(3), and two equivalent Bi(1) atoms. The Th(2)-Bi(2) bond length is 3.28 Å. The Th(2)-Bi(3) bond length is 2.83 Å. Both Th(2)-Bi(1) bond lengths are 2.86 Å. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 1-coordinate geometry to one Th(2) and one Bi(3) atom. The Bi(1)-Bi(3) bond length is 1.29 Å. In the second Bi site, Bi(2) is bonded in a 1-coordinate geometry to one Th(1) and one Th(2) atom. In the third Bi site, Bi(3) is bonded in a distorted L-shaped geometry to one Th(2) and two equivalent Bi(1) atoms.