data_TiSnPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96
_cell_length_b   5.96
_cell_length_c   5.96
_cell_angle_alpha   141.89
_cell_angle_beta   127.73
_cell_angle_gamma   66.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSnPb2
_chemical_formula_sum   'Ti1 Sn1 Pb2'
_cell_volume   102.04
_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  0.41  1.0
  Sn  Sn2  1  0.0  0.63  0.19  1.0
  Pb  Pb0  1  0.0  0.63  0.83  1.0
  Pb  Pb1  1  0.0  0.0  0.54  1.0

data_TiSnPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.89
_cell_length_b   5.25
_cell_length_c   5.96
_cell_angle_alpha   116.13
_cell_angle_beta   109.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSnPb2
_chemical_formula_sum   'Ti1 Sn1 Pb2'
_cell_volume   102.04
_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  0.59  0.59  0.59  1.0
  Sn  Sn1  1  0.81  0.43  0.43  1.0
  Pb  Pb2  1  0.17  0.8  0.8  1.0
  Pb  Pb3  1  0.46  0.46  0.46  1.0

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