data_TaAlPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79
_cell_length_b   5.79
_cell_length_c   5.79
_cell_angle_alpha   142.84
_cell_angle_beta   128.44
_cell_angle_gamma   65.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAlPb2
_chemical_formula_sum   'Ta1 Al1 Pb2'
_cell_volume   90.62
_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  0.0  0.52  0.21  1.0
  Al  Al0  1  0.0  0.0  0.13  1.0
  Pb  Pb1  1  0.0  0.52  0.74  1.0
  Pb  Pb2  1  0.0  0.0  0.56  1.0

data_TaAlPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.69
_cell_length_b   5.04
_cell_length_c   5.79
_cell_angle_alpha   115.78
_cell_angle_beta   108.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAlPb2
_chemical_formula_sum   'Ta1 Al1 Pb2'
_cell_volume   90.62
_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  0.48  0.69  0.69  1.0
  Al  Al1  1  0.0  0.13  0.13  1.0
  Pb  Pb2  1  0.0  0.56  0.56  1.0
  Pb  Pb3  1  0.48  0.22  0.22  1.0

Ta Al Pb Pb