data_[Na2Sr4I12]
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 [P2_1/c]
_cell_length_a [7.9506]
_cell_length_b [8.6213]
_cell_length_c [13.0133]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.5122]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NaSr2I6]
_chemical_formula_sum '[Na2 Sr4 I12]'
_cell_volume [734.9991]
_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  0.5000  0.0000  0.5000  1
  Sr  Sr1  4  0.1938  0.6249  0.2377  1
  I  I2  4  0.1020  0.6743  0.9294  1
  I  I3  4  0.2550  0.1697  0.9329  1
  I  I4  4  0.4113  0.5472  0.7372  1
]