data_TaGa2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13
_cell_length_b   4.89
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   102.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaGa2Pb
_chemical_formula_sum   'Ta1 Ga2 Pb1'
_cell_volume   81.97
_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  Ta3  1  0.28  0.0  0.06  1.0
  Ga  Ga0  1  0.43  0.45  0.03  1.0
  Ga  Ga1  1  0.28  0.0  0.13  1.0
  Pb  Pb2  1  0.9  0.45  0.82  1.0

data_TaGa2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.89
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   102.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaGa2Pb
_chemical_formula_sum   'Ta1 Ga2 Pb1'
_cell_volume   81.97
_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  0.28  0.0  0.06  1.0
  Ga  Ga1  1  0.28  0.0  0.13  1.0
  Ga  Ga2  1  0.43  0.45  0.03  1.0
  Pb  Pb3  1  0.9  0.45  0.82  1.0

Ta Ga Ga Pb