data_TaTiPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.6
_cell_angle_alpha   99.97
_cell_angle_beta   99.97
_cell_angle_gamma   36.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTiPb2
_chemical_formula_sum   'Ta1 Ti1 Pb2'
_cell_volume   86.68
_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
  Ta  Ta2  1  0.41  0.0  0.75  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Pb  Pb0  1  0.69  0.0  0.13  1.0
  Pb  Pb1  1  0.13  0.0  0.37  1.0

data_TaTiPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   5.17
_cell_length_c   5.6
_cell_angle_alpha   99.97
_cell_angle_beta   90.0
_cell_angle_gamma   108.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTiPb2
_chemical_formula_sum   'Ta1 Ti1 Pb2'
_cell_volume   86.68
_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
  Ta  Ta0  1  0.0  0.59  0.25  1.0
  Ti  Ti1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.0  0.31  0.87  1.0
  Pb  Pb3  1  0.0  0.87  0.63  1.0

Ta Ti Pb Pb