data_IrPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   4.12
_cell_angle_alpha   90.16
_cell_angle_beta   90.16
_cell_angle_gamma   42.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrPb
_chemical_formula_sum   'Ir2 Pb2'
_cell_volume   85.89
_cell_formula_units_Z   2
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
  Ir  Ir0  1  0.65  0.0  0.11  1.0
  Ir  Ir1  1  0.74  0.0  0.02  1.0
  Pb  Pb2  1  0.63  0.0  0.07  1.0
  Pb  Pb3  1  0.77  0.0  0.05  1.0

data_IrPb
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.0
_cell_length_b   4.12
_cell_length_c   5.57
_cell_angle_alpha   90.16
_cell_angle_beta   111.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   IrPb
_chemical_formula_sum   'Ir2 Pb2'
_cell_volume   85.89
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Ir  Ir0  2  0.0  0.04  0.46  1.0
  Pb  Pb1  2  0.0  0.01  0.43  1.0

Ir Ir Pb Pb