[CIF]
data_ScTlIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.00825446
_cell_length_b   3.00825446
_cell_length_c   8.09656035
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTlIr2
_chemical_formula_sum   'Sc1 Tl1 Ir2'
_cell_volume   73.27059099
_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
  Ir  Ir0  1  0.00000000  0.00000000  0.17234848  1
  Ir  Ir1  1  1.50412723  1.50412723  1.99160592  1
  Sc  Sc2  1  0.00000000  0.00000000  3.71885963  1
  Tl  Tl3  1  1.50412723  1.50412723  6.26202640  1
[/CIF]
