data_Ta2AlPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   5.42
_cell_angle_alpha   142.42
_cell_angle_beta   127.06
_cell_angle_gamma   66.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2AlPb
_chemical_formula_sum   'Ta2 Al1 Pb1'
_cell_volume   76.43
_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  0.75  0.0  0.18  1.0
  Ta  Ta3  1  0.0  0.42  0.34  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.0  0.0  0.53  1.0

data_Ta2AlPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   4.83
_cell_length_c   5.42
_cell_angle_alpha   116.47
_cell_angle_beta   108.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2AlPb
_chemical_formula_sum   'Ta2 Al1 Pb1'
_cell_volume   76.43
_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  0.56  0.82  0.56  1.0
  Ta  Ta1  1  0.66  0.07  0.07  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.47  0.47  0.47  1.0

Ta Ta Al Pb