data_TiIr2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   4.08
_cell_length_c   6.13
_cell_angle_alpha   90.0
_cell_angle_beta   99.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiIr2Pb
_chemical_formula_sum   'Ti1 Ir2 Pb1'
_cell_volume   72.14
_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  Ti3  1  0.77  0.0  0.86  1.0
  Ir  Ir0  1  0.89  0.04  0.03  1.0
  Ir  Ir1  1  0.42  0.0  0.23  1.0
  Pb  Pb2  1  0.24  0.04  1.0  1.0

data_TiIr2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.08
_cell_length_c   6.13
_cell_angle_alpha   90.0
_cell_angle_beta   99.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiIr2Pb
_chemical_formula_sum   'Ti1 Ir2 Pb1'
_cell_volume   72.14
_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  0.77  0.0  0.86  1.0
  Ir  Ir1  1  0.42  0.0  0.23  1.0
  Ir  Ir2  1  0.89  0.04  0.03  1.0
  Pb  Pb3  1  0.24  0.04  1.0  1.0

Ti Ir Ir Pb