data_TlIn2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.39
_cell_length_b   11.39
_cell_length_c   11.39
_cell_angle_alpha   17.34
_cell_angle_beta   17.34
_cell_angle_gamma   17.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlIn2Sb
_chemical_formula_sum   'Tl1 In2 Sb1'
_cell_volume   114.59
_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  Tl3  1  0.0  0.0  0.83  1.0
  In  In0  1  0.0  0.0  0.12  1.0
  In  In1  1  0.0  0.0  0.54  1.0
  Sb  Sb2  1  0.0  0.0  0.0  1.0

data_TlIn2Sb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.95
_cell_length_b   3.43
_cell_length_c   11.39
_cell_angle_alpha   90.0
_cell_angle_beta   100.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlIn2Sb
_chemical_formula_sum   'Tl2 In4 Sb2'
_cell_volume   229.19
_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  0.17  1.0
  In  In1  2  -0.0  0.0  0.88  1.0
  In  In2  2  -0.0  0.0  0.46  1.0
  Sb  Sb3  2  0.0  0.0  0.0  1.0

Tl In In Sb