data_[Ba4Al4Ag8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Al  1.6100  1.2500  0.6750
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.8836]
_cell_length_b [4.8039]
_cell_length_c [11.2638]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [BaAlAg2]
_chemical_formula_sum '[Ba4 Al4 Ag8]'
_cell_volume [426.5855]
_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
[
  Ba  Ba0  4  0.1570  0.7500  0.1296  1.0
  Al  Al1  4  0.0254  0.2500  0.3955  1.0
  Ag  Ag2  4  0.1621  0.7500  0.8057  1.0
  Ag  Ag3  4  0.1897  0.7500  0.4250  1.0
]