data_NaAlIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.59
_cell_length_b   7.36
_cell_length_c   2.82
_cell_angle_alpha   83.65
_cell_angle_beta   74.7
_cell_angle_gamma   21.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAlIr
_chemical_formula_sum   'Na1 Al1 Ir1'
_cell_volume   51.85
_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
  Na  Na2  1  0.51  0.37  0.72  1.0
  Al  Al0  1  0.51  0.37  0.26  1.0
  Ir  Ir1  1  0.51  0.37  0.43  1.0

data_NaAlIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.03
_cell_length_b   14.41
_cell_length_c   2.82
_cell_angle_alpha   90.0
_cell_angle_beta   122.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaAlIr
_chemical_formula_sum   'Na2 Al2 Ir2'
_cell_volume   103.69
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Na  Na0  2  0.37  0.0  0.76  1.0
  Al  Al1  2  0.37  0.0  0.22  1.0
  Ir  Ir2  2  0.37  0.0  0.06  1.0

Na Al Ir