data_[Sr8Al12S2O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Al  1.6100  1.2500  0.6750
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I-43m]
_cell_length_a [9.2454]
_cell_length_b [9.2454]
_cell_length_c [9.2454]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [217]
_chemical_formula_structural [Sr4Al6SO12]
_chemical_formula_sum '[Sr8 Al12 S2 O24]'
_cell_volume [790.2642]
_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  8  0.1817  0.1817  0.8183  1
  Al  Al1  12  0.0000  0.2500  0.5000  1
  S  S2  2  0.0000  0.0000  0.0000  1
  O  O3  24  0.0567  0.3479  0.3479  1
]