data_[Na2Sr6Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sr  0.9500  2.0000  1.3200
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.0095]
_cell_length_b [6.0458]
_cell_length_c [11.2806]
_cell_angle_alpha [98.2934]
_cell_angle_beta [95.6602]
_cell_angle_gamma [93.5307]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NaSr3Ir]
_chemical_formula_sum '[Na2 Sr6 Ir2]'
_cell_volume [402.3898]
_cell_formula_units_Z [2]
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  2  0.4811  0.2221  0.3976  1.0
  Sr  Sr1  2  0.0311  0.2867  0.6340  1.0
  Sr  Sr2  2  0.0655  0.8493  0.8570  1.0
  Sr  Sr3  2  0.4249  0.6503  0.1388  1.0
  Ir  Ir4  2  0.0783  0.3760  0.9135  1.0
]