data_Ir3Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.43
_cell_length_b   9.43
_cell_length_c   9.43
_cell_angle_alpha   17.83
_cell_angle_beta   17.83
_cell_angle_gamma   17.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ir3Pb
_chemical_formula_sum   'Ir3 Pb1'
_cell_volume   68.74
_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
  Ir  Ir0  1  0.0  0.0  0.67  1.0
  Ir  Ir1  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.0  0.0  0.18  1.0
  Pb  Pb3  1  0.0  0.0  0.92  1.0

data_Ir3Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.07
_cell_length_b   2.92
_cell_length_c   9.43
_cell_angle_alpha   90.0
_cell_angle_beta   100.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ir3Pb
_chemical_formula_sum   'Ir6 Pb2'
_cell_volume   137.48
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.82  1.0
  Ir  Ir1  2  -0.0  0.0  0.33  1.0
  Ir  Ir2  2  0.0  0.0  0.0  1.0
  Pb  Pb3  2  -0.0  0.0  0.08  1.0

Ir Ir Ir Pb