data_TaIrPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   145.89
_cell_angle_beta   131.67
_cell_angle_gamma   60.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaIrPb
_chemical_formula_sum   'Ta1 Ir1 Pb1'
_cell_volume   55.94
_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  0.0  0.0  0.97  1.0
  Ir  Ir0  1  0.0  0.0  0.85  1.0
  Pb  Pb1  1  0.0  0.0  0.9  1.0

data_TaIrPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   4.2
_cell_length_c   5.13
_cell_angle_alpha   114.16
_cell_angle_beta   107.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaIrPb
_chemical_formula_sum   'Ta1 Ir1 Pb1'
_cell_volume   55.94
_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  0.97  0.97  1.0
  Ir  Ir1  1  0.0  0.85  0.85  1.0
  Pb  Pb2  1  0.0  0.9  0.9  1.0

Ta Ir Pb