data_[Na1Bi2Ir1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Bi  2.0200  1.6000  1.0350
  Ir  2.2000  1.3500  0.7650
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.8563]
_cell_length_b [6.8210]
_cell_length_c [5.0239]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7736]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [NaBi2IrO8]
_chemical_formula_sum '[Na1 Bi2 Ir1 O8]'
_cell_volume [166.4036]
_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  0.5000  0.0000  1
  Bi  Bi1  2  0.5000  0.2537  0.5000  1
  Ir  Ir2  1  0.0000  0.0000  0.0000  1
  O  O3  4  0.2259  0.2059  0.1478  1
  O  O4  2  0.2329  0.0000  0.6863  1
  O  O5  2  0.2812  0.5000  0.6576  1
]