data_Ti2ZnPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.08
_cell_length_b   4.74
_cell_length_c   5.12
_cell_angle_alpha   90.0
_cell_angle_beta   92.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2ZnPb
_chemical_formula_sum   'Ti2 Zn1 Pb1'
_cell_volume   74.45
_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  Ti1  1  0.63  0.0  0.02  1.0
  Ti  Ti2  1  0.47  0.37  0.5  1.0
  Zn  Zn3  1  0.12  0.0  0.21  1.0
  Pb  Pb0  1  0.96  0.37  0.05  1.0

data_Ti2ZnPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.74
_cell_length_c   5.12
_cell_angle_alpha   90.0
_cell_angle_beta   92.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2ZnPb
_chemical_formula_sum   'Ti2 Zn1 Pb1'
_cell_volume   74.45
_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  0.47  0.37  0.5  1.0
  Ti  Ti1  1  0.63  0.0  0.02  1.0
  Zn  Zn2  1  0.12  0.0  0.21  1.0
  Pb  Pb3  1  0.96  0.37  0.05  1.0

Ti Ti Zn Pb
Ti Ti Zn Pb 0 2 o o o 0 2 + o o 0 3 o o o 0 1 o o o 0 1 o o - 1 2 o o o 1 2 + o o 1 3 - o o 1 3 - o + 1 3 o o o 1 3 o o + 1 1 + o o 2 3 - o o 