data_BaAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.16
_cell_length_b   8.16
_cell_length_c   8.16
_cell_angle_alpha   146.66
_cell_angle_beta   146.25
_cell_angle_gamma   48.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAg
_chemical_formula_sum   'Ba2 Ag2'
_cell_volume   165.43
_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  Ba2  1  0.34  0.18  0.85  1.0
  Ba  Ba3  1  0.0  0.18  0.6  1.0
  Ag  Ag0  1  0.0  0.55  0.8  1.0
  Ag  Ag1  1  0.34  0.82  0.65  1.0

data_BaAg
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.68
_cell_length_b   4.74
_cell_length_c   8.16
_cell_angle_alpha   106.88
_cell_angle_beta   106.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   BaAg
_chemical_formula_sum   'Ba2 Ag2'
_cell_volume   165.43
_cell_formula_units_Z   2
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  0.05  0.88  0.55  1.0
  Ag  Ag1  2  0.25  0.7  0.38  1.0

Ba Ba Ag Ag
Ba Ba Ag Ag 0 1 o o o 0 3 o - o 1 2 o o o 