data_BaSi2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.43
_cell_length_b   3.57
_cell_length_c   7.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSi2Ag
_chemical_formula_sum   'Ba1 Si2 Ag1'
_cell_volume   90.74
_cell_formula_units_Z   1
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  Ba1  1  0.71  0.79  0.66  1.0
  Si  Si2  1  0.0  0.0  0.61  1.0
  Si  Si3  1  0.71  0.79  0.67  1.0
  Ag  Ag0  1  0.0  0.0  0.17  1.0

data_BaSi2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   3.57
_cell_length_c   7.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSi2Ag
_chemical_formula_sum   'Ba1 Si2 Ag1'
_cell_volume   90.74
_cell_formula_units_Z   1
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  1  0.71  0.79  0.66  1.0
  Si  Si1  1  0.0  0.0  0.61  1.0
  Si  Si2  1  0.71  0.79  0.67  1.0
  Ag  Ag3  1  0.0  0.0  0.17  1.0

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