data_Th3In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th3In
_chemical_formula_sum   'Th3 In1'
_cell_volume   122.07
_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  0.48  0.48  1.0
  Th  Th1  1  0.48  0.0  0.48  1.0
  Th  Th2  1  0.48  0.48  0.0  1.0
  In  In3  1  0.0  0.0  0.0  1.0

data_Th3In
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.02
_cell_length_b   7.02
_cell_length_c   8.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Th3In
_chemical_formula_sum   'Th9 In3'
_cell_volume   366.22
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  9  0.01  0.51  0.99  1.0
  In  In1  3  0.0  0.0  0.0  1.0

Th Th Th In
Th Th Th In 0 1 - o o 0 1 - + o 0 1 o o o 0 1 o + o 0 2 - o o 0 2 - o + 0 2 o o o 0 2 o o + 0 3 o o o 0 3 o o + 0 3 o + o 0 3 o + + 1 3 o o o 1 3 o o + 1 3 + o o 1 3 + o + 1 2 o - o 1 2 o - + 1 2 o o o 1 2 o o + 2 3 o o o 2 3 o + o 2 3 + o o 2 3 + + o 
Th3In is Uranium Silicide structured and crystallizes in the trigonal R3m space group. Th(1) is bonded to eight equivalent Th(1) and four equivalent In(1) atoms to form distorted ThTh8In4 cuboctahedra that share corners with twelve equivalent Th(1)Th8In4 cuboctahedra, edges with eight equivalent In(1)Th12 cuboctahedra, edges with sixteen equivalent Th(1)Th8In4 cuboctahedra, faces with four equivalent In(1)Th12 cuboctahedra, and faces with fourteen equivalent Th(1)Th8In4 cuboctahedra. There are a spread of Th(1)-Th(1) bond distances ranging from 3.37-3.65 Å. There are a spread of Th(1)-In(1) bond distances ranging from 3.37-3.65 Å. In(1) is bonded to twelve equivalent Th(1) atoms to form InTh12 cuboctahedra that share corners with twelve equivalent In(1)Th12 cuboctahedra, edges with twenty-four equivalent Th(1)Th8In4 cuboctahedra, faces with six equivalent In(1)Th12 cuboctahedra, and faces with twelve equivalent Th(1)Th8In4 cuboctahedra.