data_[Ba4Al4Ag12]
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 [P2_1/c]
_cell_length_a [9.2352]
_cell_length_b [5.8894]
_cell_length_c [12.7284]
_cell_angle_alpha [90.0000]
_cell_angle_beta [133.4902]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [BaAlAg3]
_chemical_formula_sum '[Ba4 Al4 Ag12]'
_cell_volume [502.2566]
_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  0.2737  0.1563  0.5280  1
  Al  Al1  4  0.2172  0.6442  0.3179  1
  Ag  Ag2  4  0.0653  0.2086  0.1830  1
  Ag  Ag3  4  0.2172  0.6519  0.6344  1
  Ag  Ag4  4  0.4847  0.1610  0.8909  1
]