data_TaTiPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.36
_cell_length_b   7.15
_cell_length_c   3.07
_cell_angle_alpha   81.79
_cell_angle_beta   73.84
_cell_angle_gamma   24.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTiPb
_chemical_formula_sum   'Ta1 Ti1 Pb1'
_cell_volume   61.54
_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  Ta1  1  0.77  0.51  0.36  1.0
  Ti  Ti2  1  0.77  0.51  0.5  1.0
  Pb  Pb0  1  0.77  0.51  0.84  1.0

data_TaTiPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.54
_cell_length_b   13.85
_cell_length_c   3.07
_cell_angle_alpha   90.0
_cell_angle_beta   125.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaTiPb
_chemical_formula_sum   'Ta2 Ti2 Pb2'
_cell_volume   123.08
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.36  0.0  0.13  1.0
  Ti  Ti1  2  0.0  0.5  0.27  1.0
  Pb  Pb2  2  0.34  0.5  0.61  1.0

Ta Ti Pb