data_[Na1P2Ir1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  P  2.1900  1.0000  0.5500
  Ir  2.2000  1.3500  0.7650
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.1863]
_cell_length_b [5.1863]
_cell_length_c [7.0216]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [NaP2IrO8]
_chemical_formula_sum '[Na1 P2 Ir1 O8]'
_cell_volume [163.5622]
_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  0.0000  0.0000  0.5000  1.0
  P  P1  2  0.3333  0.6667  0.2477  1.0
  Ir  Ir2  1  0.0000  0.0000  0.0000  1.0
  O  O3  6  0.1704  0.3407  0.1729  1.0
  O  O4  2  0.3333  0.6667  0.4604  1.0
]