data_AlIrPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.59
_cell_length_b   6.59
_cell_length_c   6.59
_cell_angle_alpha   152.6
_cell_angle_beta   152.6
_cell_angle_gamma   39.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlIrPb
_chemical_formula_sum   'Al1 Ir1 Pb1'
_cell_volume   60.52
_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
  Al  Al0  1  0.0  0.0  0.9  1.0
  Ir  Ir1  1  0.0  0.0  0.49  1.0
  Pb  Pb2  1  0.0  0.0  0.45  1.0

data_AlIrPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   6.59
_cell_angle_alpha   90.0
_cell_angle_beta   109.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlIrPb
_chemical_formula_sum   'Al2 Ir2 Pb2'
_cell_volume   121.04
_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
  Al  Al0  2  0.0  0.0  0.1  1.0
  Ir  Ir1  2  0.0  0.0  0.51  1.0
  Pb  Pb2  2  0.0  0.0  0.55  1.0

Al Ir Pb
Al Ir Pb 0 0 + o + 0 0 o + + 0 2 o o o 0 2 o o + 0 1 o o o 1 2 o o o 