data_TaIr2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   133.69
_cell_angle_beta   133.69
_cell_angle_gamma   67.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaIr2Pb
_chemical_formula_sum   'Ta1 Ir2 Pb1'
_cell_volume   69.63
_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  0.0  0.0  1.0
  Ir  Ir0  1  0.02  0.0  0.13  1.0
  Ir  Ir1  1  0.0  0.0  0.27  1.0
  Pb  Pb2  1  0.0  0.02  0.13  1.0

data_TaIr2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.04
_cell_length_b   4.04
_cell_length_c   5.14
_cell_angle_alpha   113.16
_cell_angle_beta   113.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaIr2Pb
_chemical_formula_sum   'Ta1 Ir2 Pb1'
_cell_volume   69.63
_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  0.0  0.0  1.0
  Ir  Ir1  1  0.13  0.11  0.11  1.0
  Ir  Ir2  1  0.27  0.27  0.27  1.0
  Pb  Pb3  1  0.11  0.13  0.11  1.0

Ta Ir Ir Pb
Ta Ir Ir Pb 0 3 o o o 0 1 o o o 1 3 o o o 1 2 o o o 2 3 o o o 