data_Ti4Ir5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26
_cell_length_b   6.26
_cell_length_c   6.26
_cell_angle_alpha   95.58
_cell_angle_beta   95.58
_cell_angle_gamma   143.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti4Ir5
_chemical_formula_sum   'Ti4 Ir5'
_cell_volume   137.79
_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
  Ti  Ti5  1  0.0  0.61  0.0  1.0
  Ti  Ti6  1  0.0  0.8  0.0  1.0
  Ti  Ti7  1  0.61  0.0  0.0  1.0
  Ti  Ti8  1  0.8  0.0  0.0  1.0
  Ir  Ir0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.8  0.8  0.0  1.0
  Ir  Ir2  1  0.6  0.4  0.95  1.0
  Ir  Ir3  1  0.4  0.6  0.95  1.0
  Ir  Ir4  1  0.4  0.4  0.95  1.0

data_Ti4Ir5
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.9
_cell_length_b   11.89
_cell_length_c   6.26
_cell_angle_alpha   90.0
_cell_angle_beta   108.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ti4Ir5
_chemical_formula_sum   'Ti8 Ir10'
_cell_volume   275.57
_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
  Ti  Ti0  4  0.1  0.1  0.0  1.0
  Ti  Ti1  4  0.2  0.2  -0.0  1.0
  Ir  Ir2  4  -0.0  0.4  0.05  1.0
  Ir  Ir3  2  0.0  0.0  0.0  1.0
  Ir  Ir4  2  0.1  0.5  0.05  1.0
  Ir  Ir5  2  0.2  0.0  -0.0  1.0

Ti Ti Ti Ti Ir Ir Ir Ir Ir