data_Ti2CdIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   4.66
_cell_angle_alpha   110.08
_cell_angle_beta   110.08
_cell_angle_gamma   33.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2CdIr
_chemical_formula_sum   'Ti2 Cd1 Ir1'
_cell_volume   67.24
_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  Ti2  1  0.24  0.0  0.3  1.0
  Ti  Ti3  1  0.08  0.0  0.05  1.0
  Cd  Cd0  1  0.29  0.0  0.24  1.0
  Ir  Ir1  1  0.43  0.0  0.28  1.0

data_Ti2CdIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   4.66
_cell_length_c   5.27
_cell_angle_alpha   110.08
_cell_angle_beta   106.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2CdIr
_chemical_formula_sum   'Ti2 Cd1 Ir1'
_cell_volume   67.24
_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  Ti0  1  0.0  0.05  0.08  1.0
  Ti  Ti1  1  0.0  0.3  0.24  1.0
  Cd  Cd2  1  0.0  0.24  0.29  1.0
  Ir  Ir3  1  0.0  0.28  0.43  1.0

Ti Ti Cd Ir