data_[Sr4I8]
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 [P222_1]
_cell_length_a [10.3557]
_cell_length_b [20.7897]
_cell_length_c [13.5486]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [17]
_chemical_formula_structural [SrI2]
_chemical_formula_sum '[Sr4 I8]'
_cell_volume [2916.9246]
_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
[
  Sr  Sr0  2  0.2409  0.0000  0.5000  1
  Sr  Sr1  2  0.5000  0.0060  0.7500  1
  I  I2  4  0.2096  0.0609  0.7088  1
  I  I3  2  0.4581  0.0000  0.0000  1
  I  I4  2  0.5000  0.1392  0.2500  1
]