data_Tl3In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.33
_cell_length_b   11.33
_cell_length_c   11.33
_cell_angle_alpha   17.77
_cell_angle_beta   17.77
_cell_angle_gamma   17.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl3In
_chemical_formula_sum   'Tl3 In1'
_cell_volume   118.18
_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
  Tl  Tl1  1  0.0  0.0  0.02  1.0
  Tl  Tl2  1  0.0  0.0  0.72  1.0
  Tl  Tl3  1  0.0  0.0  0.41  1.0
  In  In0  1  0.0  0.0  0.0  1.0

data_Tl3In
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.06
_cell_length_b   3.5
_cell_length_c   11.33
_cell_angle_alpha   90.0
_cell_angle_beta   100.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl3In
_chemical_formula_sum   'Tl6 In2'
_cell_volume   236.36
_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
  Tl  Tl0  2  0.0  0.0  0.28  1.0
  Tl  Tl1  2  0.0  0.0  0.59  1.0
  Tl  Tl2  2  0.0  0.0  0.98  1.0
  In  In3  2  0.0  0.0  0.0  1.0

Tl Tl Tl In
Tl Tl Tl In 0 3 o o o 0 1 o o - 1 1 o + - 1 1 + - o 1 1 + o - 1 2 o o o 1 3 o o + 2 2 o + - 2 2 + - o 2 2 + o - 