data_[Sr8Al12Ga20]
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 [Ibam]
_cell_length_a [10.9227]
_cell_length_b [12.5443]
_cell_length_c [6.3551]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Sr2Al3Ga5]
_chemical_formula_sum '[Sr8 Al12 Ga20]'
_cell_volume [870.7570]
_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  8  0.2425  0.3741  0.0000  1
  Al  Al1  8  0.1256  0.3708  0.5000  1
  Al  Al2  4  0.0000  0.0000  0.2500  1
  Ga  Ga3  8  0.0000  0.2386  0.2500  1
  Ga  Ga4  8  0.1398  0.1193  0.0000  1
  Ga  Ga5  4  0.0000  0.5000  0.2500  1
]