data_NaInIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   4.68
_cell_angle_alpha   123.8
_cell_angle_beta   123.8
_cell_angle_gamma   83.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaInIr2
_chemical_formula_sum   'Na1 In1 Ir2'
_cell_volume   67.69
_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
  In  In0  1  0.2  0.0  0.74  1.0
  Ir  Ir1  1  0.0  0.0  0.49  1.0
  Ir  Ir2  1  0.0  0.2  0.74  1.0

data_NaInIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   4.68
_cell_angle_alpha   118.1
_cell_angle_beta   118.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaInIr2
_chemical_formula_sum   'Na1 In1 Ir2'
_cell_volume   67.69
_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
  In  In1  1  0.26  0.0  0.46  1.0
  Ir  Ir2  1  0.46  0.2  0.46  1.0
  Ir  Ir3  1  0.51  0.0  0.51  1.0

Na In Ir Ir