data_NaAlIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   2.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAlIr2
_chemical_formula_sum   'Na1 Al1 Ir2'
_cell_volume   60.59
_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  Na3  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.83  0.0  0.0  1.0
  Ir  Ir1  1  0.42  0.05  0.37  1.0
  Ir  Ir2  1  0.42  0.95  0.37  1.0

data_NaAlIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   4.82
_cell_length_c   4.82
_cell_angle_alpha   108.01
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAlIr2
_chemical_formula_sum   'Na1 Al1 Ir2'
_cell_volume   60.59
_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  Na0  1  0.0  0.0  0.0  1.0
  Al  Al1  1  -0.0  0.83  0.0  1.0
  Ir  Ir2  1  0.37  0.42  0.05  1.0
  Ir  Ir3  1  0.37  0.42  0.95  1.0

Na Al Ir Ir