data_[Sr16Al8Ga24]
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
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [8.7787]
_cell_length_b [9.6097]
_cell_length_c [15.1808]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Sr2AlGa3]
_chemical_formula_sum '[Sr16 Al8 Ga24]'
_cell_volume [1280.6747]
_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  0.0000  0.2475  0.0000  1
  Sr  Sr1  8  0.2500  0.2500  0.2500  1
  Al  Al2  8  0.0000  0.0000  0.3335  1
  Ga  Ga3  16  0.2493  0.0000  0.0829  1
  Ga  Ga4  8  0.0000  0.0000  0.1661  1
]