data_[Sr12Al12Ag8]
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
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.7402]
_cell_length_b [16.4310]
_cell_length_c [6.1503]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Sr3Al3Ag2]
_chemical_formula_sum '[Sr12 Al12 Ag8]'
_cell_volume [883.2438]
_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  0.0426  0.6081  0.6198  1
  Sr  Sr1  4  0.1909  0.7500  0.1063  1
  Al  Al2  8  0.1812  0.5368  0.1151  1
  Al  Al3  4  0.1576  0.2500  0.0927  1
  Ag  Ag4  8  0.1053  0.1022  0.8841  1
]