data_Ba2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.03
_cell_length_b   5.27
_cell_length_c   11.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Ag
_chemical_formula_sum   'Ba8 Ag4'
_cell_volume   524.74
_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  Ba4  1  0.72  0.32  0.65  1.0
  Ba  Ba5  1  0.84  0.95  0.16  1.0
  Ba  Ba6  1  0.2  0.32  0.86  1.0
  Ba  Ba7  1  0.32  0.95  0.37  1.0
  Ba  Ba8  1  0.83  0.32  0.25  1.0
  Ba  Ba9  1  0.73  0.95  0.74  1.0
  Ba  Ba10  1  0.31  0.32  0.28  1.0
  Ba  Ba11  1  0.21  0.95  0.77  1.0
  Ag  Ag0  1  0.24  0.32  0.72  1.0
  Ag  Ag1  1  0.28  0.95  0.21  1.0
  Ag  Ag2  1  0.76  0.32  0.81  1.0
  Ag  Ag3  1  0.8  0.95  0.3  1.0

data_Ba2Ag
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.27
_cell_length_b   9.03
_cell_length_c   11.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ba2Ag
_chemical_formula_sum   'Ba8 Ag4'
_cell_volume   524.74
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.32  0.21  0.23  1.0
  Ba  Ba1  2  0.32  0.32  0.65  1.0
  Ba  Ba2  2  0.32  0.69  0.26  1.0
  Ba  Ba3  2  0.32  0.8  0.86  1.0
  Ag  Ag4  2  0.32  0.28  0.79  1.0
  Ag  Ag5  2  0.32  0.76  0.7  1.0

Ba Ba Ba Ba Ba Ba Ba Ba Ag Ag Ag Ag