data_Al2SbIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   3.87
_cell_length_c   6.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2SbIr
_chemical_formula_sum   'Al2 Sb1 Ir1'
_cell_volume   75.5
_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  0.52  0.93  0.16  1.0
  Al  Al1  1  0.0  0.0  0.92  1.0
  Sb  Sb3  1  0.0  0.0  0.95  1.0
  Ir  Ir2  1  0.52  0.93  0.57  1.0

data_Al2SbIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   3.87
_cell_length_c   6.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2SbIr
_chemical_formula_sum   'Al2 Sb1 Ir1'
_cell_volume   75.5
_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  0.92  1.0
  Al  Al1  1  0.52  0.93  0.16  1.0
  Sb  Sb2  1  0.0  0.0  0.95  1.0
  Ir  Ir3  1  0.52  0.93  0.57  1.0

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