data_[Sr16Sb8I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sb  2.0500  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.6812]
_cell_length_b [19.1301]
_cell_length_c [8.4277]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.3778]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sr2SbI]
_chemical_formula_sum '[Sr16 Sb8 I8]'
_cell_volume [1288.2067]
_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  8  0.2039  0.0632  0.7190  1.0
  Sr  Sr1  8  0.2337  0.1882  0.2185  1.0
  Sb  Sb2  4  0.0000  0.0688  0.2500  1.0
  Sb  Sb3  4  0.0000  0.1943  0.7500  1.0
  I  I4  4  0.0000  0.3197  0.2500  1.0
  I  I5  4  0.0000  0.4443  0.7500  1.0
]