data_Al3Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.3
_cell_length_b   4.3
_cell_length_c   7.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ir
_chemical_formula_sum   'Al6 Ir2'
_cell_volume   124.84
_cell_formula_units_Z   2
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  0.85  1.0
  Al  Al1  1  0.0  0.0  0.95  1.0
  Al  Al2  1  0.15  0.24  0.62  1.0
  Al  Al3  1  0.0  0.48  0.51  1.0
  Al  Al4  1  0.0  0.48  0.18  1.0
  Al  Al5  1  0.15  0.24  0.28  1.0
  Ir  Ir6  1  0.15  0.24  0.85  1.0
  Ir  Ir7  1  0.0  0.48  0.95  1.0

data_Al3Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.3
_cell_length_b   4.3
_cell_length_c   7.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ir
_chemical_formula_sum   'Al6 Ir2'
_cell_volume   124.84
_cell_formula_units_Z   2
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  0.85  1.0
  Al  Al1  1  0.0  0.0  0.95  1.0
  Al  Al2  1  0.0  0.48  0.18  1.0
  Al  Al3  1  0.0  0.48  0.51  1.0
  Al  Al4  1  0.15  0.24  0.28  1.0
  Al  Al5  1  0.15  0.24  0.62  1.0
  Ir  Ir6  1  0.0  0.48  0.95  1.0
  Ir  Ir7  1  0.15  0.24  0.85  1.0

Al Al Al Al Al Al Ir Ir