data_[Ba6Ag6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.4090]
_cell_length_b [4.6267]
_cell_length_c [8.7754]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8335]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BaAg]
_chemical_formula_sum '[Ba6 Ag6]'
_cell_volume [467.6808]
_cell_formula_units_Z [6]
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  2  0.0133  0.0000  0.3875  1.0
  Ba  Ba1  2  0.1867  0.0000  0.0375  1.0
  Ba  Ba2  2  0.3694  0.0000  0.6872  1.0
  Ag  Ag3  2  0.1609  0.5000  0.6975  1.0
  Ag  Ag4  2  0.2240  0.5000  0.3808  1.0
  Ag  Ag5  2  0.3790  0.5000  0.9760  1.0
]