data_Al2SbIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   3.16
_cell_angle_alpha   102.83
_cell_angle_beta   102.83
_cell_angle_gamma   111.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2SbIr
_chemical_formula_sum   'Al2 Sb1 Ir1'
_cell_volume   72.02
_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  0.84  0.13  0.45  1.0
  Al  Al1  1  0.84  0.87  0.45  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.92  0.0  0.0  1.0

data_Al2SbIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   111.15
_cell_angle_beta   102.83
_cell_angle_gamma   102.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2SbIr
_chemical_formula_sum   'Al2 Sb1 Ir1'
_cell_volume   72.02
_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  0.45  0.84  0.87  1.0
  Al  Al1  1  0.45  0.84  0.13  1.0
  Sb  Sb2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.92  0.0  1.0

Al Al Sb Ir
Al Al Sb Ir 0 1 o - o 1 2 + + + 1 3 o + + 2 3 - o o 