data_Al5Ir3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   4.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al5Ir3
_chemical_formula_sum   'Al5 Ir3'
_cell_volume   113.72
_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
  Al  Al1  1  0.66  0.08  0.0  1.0
  Al  Al2  1  0.66  0.92  0.0  1.0
  Al  Al3  1  0.79  0.0  0.06  1.0
  Al  Al4  1  0.84  0.0  0.06  1.0
  Ir  Ir5  1  0.32  0.0  0.0  1.0
  Ir  Ir6  1  0.32  0.75  0.06  1.0
  Ir  Ir7  1  0.32  0.25  0.06  1.0

data_Al5Ir3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.11
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   102.99
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al5Ir3
_chemical_formula_sum   'Al5 Ir3'
_cell_volume   113.72
_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
  Al  Al1  1  0.0  0.66  0.08  1.0
  Al  Al2  1  0.0  0.66  0.92  1.0
  Al  Al3  1  0.06  0.79  0.0  1.0
  Al  Al4  1  0.06  0.84  0.0  1.0
  Ir  Ir5  1  0.0  0.32  0.0  1.0
  Ir  Ir6  1  0.06  0.32  0.25  1.0
  Ir  Ir7  1  0.06  0.32  0.75  1.0

Al Al Al Al Al Ir Ir Ir