data_[Sr8Al8]
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
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [6.2751]
_cell_length_b [6.4495]
_cell_length_c [12.4801]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [SrAl]
_chemical_formula_sum '[Sr8 Al8]'
_cell_volume [505.0879]
_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  4  0.1248  0.5765  0.4780  1.0
  Sr  Sr1  4  0.1369  0.1596  0.6778  1.0
  Al  Al2  4  0.1250  0.0787  0.3955  1.0
  Al  Al3  4  0.1279  0.3371  0.2257  1.0
]