data_AlIr5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   6.59
_cell_angle_alpha   104.72
_cell_angle_beta   104.72
_cell_angle_gamma   31.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlIr5
_chemical_formula_sum   'Al1 Ir5'
_cell_volume   86.71
_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  0.27  0.0  0.35  1.0
  Ir  Ir1  1  0.0  0.0  0.09  1.0
  Ir  Ir2  1  0.15  0.0  0.3  1.0
  Ir  Ir3  1  0.35  0.0  0.74  1.0
  Ir  Ir4  1  0.49  0.0  0.86  1.0
  Ir  Ir5  1  0.47  0.0  0.03  1.0

data_AlIr5
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   5.13
_cell_length_c   6.59
_cell_angle_alpha   104.72
_cell_angle_beta   90.0
_cell_angle_gamma   105.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlIr5
_chemical_formula_sum   'Al1 Ir5'
_cell_volume   86.71
_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  0.73  0.65  1.0
  Ir  Ir1  1  0.0  0.51  0.14  1.0
  Ir  Ir2  1  0.0  0.53  0.97  1.0
  Ir  Ir3  1  0.0  0.65  0.26  1.0
  Ir  Ir4  1  0.0  0.85  0.7  1.0
  Ir  Ir5  1  0.0  1.0  0.91  1.0

Al Ir Ir Ir Ir Ir