data_[Sr6I16]
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/m]
_cell_length_a [10.7663]
_cell_length_b [13.5300]
_cell_length_c [7.0789]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.2945]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr3I8]
_chemical_formula_sum '[Sr6 I16]'
_cell_volume [939.8555]
_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
[
  Sr  Sr0  4  0.0000  0.3238  0.5000  1
  Sr  Sr1  2  0.0000  0.0000  0.0000  1
  I  I2  8  0.2055  0.1259  0.5478  1
  I  I3  4  0.0000  0.2385  0.0000  1
  I  I4  4  0.1512  0.5000  0.8470  1
]