data_[Na8Sr4I16]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P4_122]
_cell_length_a [9.5765]
_cell_length_b [9.5765]
_cell_length_c [13.6239]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [91]
_chemical_formula_structural [Na2SrI4]
_chemical_formula_sum '[Na8 Sr4 I16]'
_cell_volume [1249.4370]
_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  0.2498  0.2498  0.3750  1
  Na  Na1  4  0.2639  0.5000  0.7500  1
  Sr  Sr2  4  0.0000  0.2625  0.0000  1
  I  I3  8  0.0194  0.2502  0.7567  1
  I  I4  8  0.2518  0.4927  0.9890  1
]