data_[Sr8I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.5615]
_cell_length_b [14.9616]
_cell_length_c [8.0904]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.6082]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [SrI2]
_chemical_formula_sum '[Sr8 I16]'
_cell_volume [1026.2326]
_cell_formula_units_Z [8]
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
[
  Sr  Sr0  4  0.0000  0.0103  0.2500  1.0
  Sr  Sr1  4  0.0000  0.3664  0.7500  1.0
  I  I2  8  0.1213  0.8214  0.5740  1.0
  I  I3  8  0.1938  0.4412  0.2529  1.0
]