data_TiIrPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62
_cell_length_b   5.62
_cell_length_c   3.17
_cell_angle_alpha   103.23
_cell_angle_beta   103.23
_cell_angle_gamma   112.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiIrPb2
_chemical_formula_sum   'Ti1 Ir1 Pb2'
_cell_volume   84.56
_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  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.13  0.0  0.0  1.0
  Pb  Pb1  1  0.92  0.67  0.45  1.0
  Pb  Pb2  1  0.92  0.33  0.45  1.0

data_TiIrPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   5.62
_cell_length_c   5.62
_cell_angle_alpha   112.14
_cell_angle_beta   103.23
_cell_angle_gamma   103.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiIrPb2
_chemical_formula_sum   'Ti1 Ir1 Pb2'
_cell_volume   84.56
_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  0.0  0.0  1.0
  Ir  Ir1  1  0.0  0.13  0.0  1.0
  Pb  Pb2  1  0.45  0.92  0.33  1.0
  Pb  Pb3  1  0.45  0.92  0.67  1.0

Ti Ir Pb Pb