data_Ti2IrPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   5.47
_cell_angle_alpha   104.95
_cell_angle_beta   104.95
_cell_angle_gamma   39.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2IrPb
_chemical_formula_sum   'Ti2 Ir1 Pb1'
_cell_volume   75.6
_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  0.25  0.0  0.18  1.0
  Ti  Ti3  1  0.19  0.0  0.08  1.0
  Ir  Ir0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.72  0.0  0.63  1.0

data_Ti2IrPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   4.75
_cell_length_c   5.47
_cell_angle_alpha   104.95
_cell_angle_beta   90.0
_cell_angle_gamma   109.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2IrPb
_chemical_formula_sum   'Ti2 Ir1 Pb1'
_cell_volume   75.6
_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  0.75  0.82  1.0
  Ti  Ti1  1  0.0  0.81  0.92  1.0
  Ir  Ir2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.28  0.37  1.0

Ti Ti Ir Pb