data_Na3Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.65
_cell_length_b   4.97
_cell_length_c   6.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3Ir
_chemical_formula_sum   'Na3 Ir1'
_cell_volume   83.07
_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  Na1  1  0.33  0.48  0.79  1.0
  Na  Na2  1  0.0  0.0  0.0  1.0
  Na  Na3  1  0.33  0.48  0.51  1.0
  Ir  Ir0  1  0.0  0.0  0.15  1.0

data_Na3Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.65
_cell_length_b   4.97
_cell_length_c   6.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3Ir
_chemical_formula_sum   'Na3 Ir1'
_cell_volume   83.07
_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
  Na  Na1  1  0.33  0.48  0.51  1.0
  Na  Na2  1  0.33  0.48  0.79  1.0
  Ir  Ir3  1  0.0  0.0  0.15  1.0

Na Na Na Ir
Na Na Na Ir 0 2 o o o 1 3 o o o 