data_[Sr4Al8O16]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [9.0792]
_cell_length_b [5.1321]
_cell_length_c [8.5934]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.9367]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [SrAl2O4]
_chemical_formula_sum '[Sr4 Al8 O16]'
_cell_volume [399.4670]
_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  4  0.0113  0.9990  0.2419  1.0
  Al  Al1  4  0.1659  0.5117  0.5532  1.0
  Al  Al2  4  0.1672  0.4630  0.9439  1.0
  O  O3  4  0.1668  0.3817  0.7442  1.0
  O  O4  4  0.1745  0.8055  0.9678  1.0
  O  O5  4  0.1861  0.2384  0.4321  1.0
  O  O6  2  0.0000  0.3266  0.0000  1.0
  O  O7  2  0.0000  0.6863  0.5000  1.0
]