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 [Pmm2]
_cell_length_a [6.4793]
_cell_length_b [8.6273]
_cell_length_c [7.4901]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [NaSr3Ir]
_chemical_formula_sum '[Na2 Sr6 Ir2]'
_cell_volume [418.6894]
_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  1  0.0000  0.0000  0.5739  1.0
  Na  Na1  1  0.5000  0.0000  0.8765  1.0
  Sr  Sr2  2  0.0000  0.2618  0.0598  1.0
  Sr  Sr3  2  0.5000  0.2359  0.3832  1.0
  Sr  Sr4  1  0.0000  0.5000  0.5207  1.0
  Sr  Sr5  1  0.5000  0.5000  0.8679  1.0
  Ir  Ir6  2  0.2888  0.5000  0.2142  1.0
]