[CIF]
data_TiIr2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06172930
_cell_length_b   3.06172930
_cell_length_c   7.04069708
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiIr2Cl
_chemical_formula_sum   'Ti1 Ir2 Cl1'
_cell_volume   66.00080616
_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
  Cl  Cl0  1  0.00000000  0.00000000  0.00000000  1
  Ir  Ir1  1  1.53086465  1.53086465  2.07699480  1
  Ir  Ir2  1  1.53086465  1.53086465  4.96370228  1
  Ti  Ti3  1  0.00000000  0.00000000  3.52034854  1
[/CIF]
