data_Th2(InSn)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.84
_cell_length_c   9.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2(InSn)3
_chemical_formula_sum   'Th2 In3 Sn3'
_cell_volume   214.45
_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
  Th  Th0  1  0.0  0.42  0.96  1.0
  Th  Th1  1  0.0  0.42  0.38  1.0
  In  In2  1  0.37  0.0  0.02  1.0
  In  In3  1  0.37  0.0  0.32  1.0
  In  In4  1  0.0  0.0  0.0  1.0
  Sn  Sn5  1  0.0  0.0  0.67  1.0
  Sn  Sn6  1  0.37  0.42  0.0  1.0
  Sn  Sn7  1  0.37  0.42  0.67  1.0

data_Th2(InSn)3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.74
_cell_length_b   4.84
_cell_length_c   9.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2(InSn)3
_chemical_formula_sum   'Th2 In3 Sn3'
_cell_volume   214.45
_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
  Th  Th0  1  0.0  0.42  0.38  1.0
  Th  Th1  1  0.0  0.42  0.96  1.0
  In  In2  1  0.0  0.0  0.0  1.0
  In  In3  1  0.37  0.0  0.02  1.0
  In  In4  1  0.37  0.0  0.32  1.0
  Sn  Sn5  1  0.0  0.0  0.67  1.0
  Sn  Sn6  1  0.37  0.42  0.0  1.0
  Sn  Sn7  1  0.37  0.42  0.67  1.0

Th Th In In In Sn Sn Sn
Th Th In In In Sn Sn Sn 0 4 o o + 0 6 o o + 0 5 o o o 0 7 o o o 1 3 - o o 1 3 o o o 1 3 o + o 1 5 o o o 1 7 o o o 2 4 o o o 2 6 o o o 2 3 o o o 4 5 o o - 5 7 - o o 5 7 o - o 5 7 o o o 6 7 o o - 
Th2(InSn)3 crystallizes in the triclinic P1 space group. There are two inequivalent Th sites. In the first Th site, Th(1) is bonded in a 2-coordinate geometry to one In(3), one Sn(2), one Sn(3), and two equivalent Sn(1) atoms. The Th(1)-In(3) bond length is 2.07 Å. The Th(1)-Sn(2) bond length is 1.80 Å. The Th(1)-Sn(3) bond length is 3.22 Å. There is one shorter (3.37 Å) and one longer (3.89 Å) Th(1)-Sn(1) bond length. In the second Th site, Th(2) is bonded in a 1-coordinate geometry to one In(2), one Sn(3), and two equivalent Sn(1) atoms. The Th(2)-In(2) bond length is 2.75 Å. The Th(2)-Sn(3) bond length is 3.22 Å. There is one shorter (3.37 Å) and one longer (3.89 Å) Th(2)-Sn(1) bond length. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 5-coordinate geometry to one In(2), two equivalent In(3), and two equivalent Sn(2) atoms. The In(1)-In(2) bond length is 2.85 Å. There is one shorter (1.77 Å) and one longer (2.98 Å) In(1)-In(3) bond length. There is one shorter (2.04 Å) and one longer (2.81 Å) In(1)-Sn(2) bond length. In the second In site, In(2) is bonded in a 1-coordinate geometry to one Th(2) and one In(1) atom. In the third In site, In(3) is bonded in a 1-coordinate geometry to one Th(1), two equivalent In(1), and one Sn(1) atom. The In(3)-Sn(1) bond length is 3.08 Å. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 7-coordinate geometry to two equivalent Th(1), two equivalent Th(2), one In(3), and two equivalent Sn(3) atoms. There is one shorter (2.69 Å) and one longer (3.32 Å) Sn(1)-Sn(3) bond length. In the second Sn site, Sn(2) is bonded in a 1-coordinate geometry to one Th(1) and two equivalent In(1) atoms. In the third Sn site, Sn(3) is bonded in a 3-coordinate geometry to one Th(1), one Th(2), and two equivalent Sn(1) atoms.