[CIF]
data_BaTlIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06801873
_cell_length_b   3.95070039
_cell_length_c   7.88307631
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTlIr2
_chemical_formula_sum   'Ba1 Tl1 Ir2'
_cell_volume   95.54937102
_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
  Ba  Ba0  1  0.00000000  0.00000000  6.21791573  1
  Ir  Ir1  1  1.53400936  1.97535020  0.64384994  1
  Ir  Ir2  1  0.00000000  0.00000000  1.48255968  1
  Tl  Tl3  1  1.53400936  1.97535020  3.48028911  1
[/CIF]
