data_NaPIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.86
_cell_length_b   2.86
_cell_length_c   7.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaPIr2
_chemical_formula_sum   'Na1 P1 Ir2'
_cell_volume   63.48
_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  0.0  0.0  0.0  1.0
  P  P3  1  0.0  0.0  0.88  1.0
  Ir  Ir0  1  0.97  0.0  0.32  1.0
  Ir  Ir1  1  0.97  0.0  0.44  1.0

data_NaPIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   2.86
_cell_length_c   7.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaPIr2
_chemical_formula_sum   'Na1 P1 Ir2'
_cell_volume   63.48
_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
  P  P1  1  0.0  0.0  0.88  1.0
  Ir  Ir2  1  0.97  0.0  0.32  1.0
  Ir  Ir3  1  0.97  0.0  0.44  1.0

Na P Ir Ir