data_[Na4Ir4S4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ir  2.2000  1.3500  0.7650
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.2698]
_cell_length_b [6.7954]
_cell_length_c [5.9956]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4828]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NaIrSO]
_chemical_formula_sum '[Na4 Ir4 S4 O4]'
_cell_volume [242.2733]
_cell_formula_units_Z [4]
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  4  0.4185  0.2233  0.9983  1
  Ir  Ir1  4  0.0186  0.6223  0.2462  1
  S  S2  4  0.2130  0.6118  0.6485  1
  O  O3  4  0.1452  0.1356  0.6359  1
]