[CIF]
data_ScTl2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45043119
_cell_length_b   5.39695809
_cell_length_c   5.58884713
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.69312294
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTl2In
_chemical_formula_sum   'Sc1 Tl2 In1'
_cell_volume   104.06695998
_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
  In  In0  1  2.14117455  2.69847905  3.14355298  1
  Sc  Sc1  1  0.42979807  0.00000000  3.86636375  1
  Tl  Tl2  1  0.38021279  2.69847905  0.26268314  1
  Tl  Tl3  1  2.12304910  0.00000000  1.11005735  1
[/CIF]
