data_AlIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   4.92
_cell_angle_alpha   147.39
_cell_angle_beta   137.44
_cell_angle_gamma   54.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlIr2
_chemical_formula_sum   'Al1 Ir2'
_cell_volume   43.24
_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  0.0  1.0
  Ir  Ir1  1  0.0  0.0  0.74  1.0
  Ir  Ir2  1  0.0  0.0  0.01  1.0

data_AlIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   3.57
_cell_length_c   4.92
_cell_angle_alpha   111.28
_cell_angle_beta   106.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlIr2
_chemical_formula_sum   'Al1 Ir2'
_cell_volume   43.24
_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  0.0  1.0
  Ir  Ir1  1  0.0  0.01  0.01  1.0
  Ir  Ir2  1  0.0  0.74  0.74  1.0

Al Ir Ir
Al Ir Ir 0 2 o o o 0 1 o o - 1 2 o o + 