data_TiInPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42
_cell_length_b   5.05
_cell_length_c   6.0
_cell_angle_alpha   90.0
_cell_angle_beta   105.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiInPb2
_chemical_formula_sum   'Ti1 In1 Pb2'
_cell_volume   99.98
_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  0.26  0.0  0.78  1.0
  In  In0  1  0.24  0.53  0.43  1.0
  Pb  Pb1  1  0.55  0.0  0.45  1.0
  Pb  Pb2  1  0.99  0.53  0.79  1.0

data_TiInPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   5.05
_cell_length_c   6.0
_cell_angle_alpha   90.0
_cell_angle_beta   105.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiInPb2
_chemical_formula_sum   'Ti1 In1 Pb2'
_cell_volume   99.98
_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  0.26  0.0  0.78  1.0
  In  In1  1  0.24  0.53  0.43  1.0
  Pb  Pb2  1  0.55  0.0  0.45  1.0
  Pb  Pb3  1  0.99  0.53  0.79  1.0

Ti In Pb Pb