data_[Ba6Al4Ag8]
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 [C2/m]
_cell_length_a [12.4274]
_cell_length_b [4.8844]
_cell_length_c [9.4440]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6180]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3(AlAg2)2]
_chemical_formula_sum '[Ba6 Al4 Ag8]'
_cell_volume [536.5323]
_cell_formula_units_Z [2]
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  0.1244  0.5000  0.6879  1.0
  Ba  Ba1  2  0.0000  0.0000  0.0000  1.0
  Al  Al2  4  0.1683  0.5000  0.3313  1.0
  Ag  Ag3  4  0.1315  0.0000  0.4188  1.0
  Ag  Ag4  4  0.2227  0.5000  0.0752  1.0
]