data_Ba2SiAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26
_cell_length_b   6.26
_cell_length_c   6.26
_cell_angle_alpha   133.95
_cell_angle_beta   133.95
_cell_angle_gamma   67.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2SiAg
_chemical_formula_sum   'Ba2 Si1 Ag1'
_cell_volume   125.06
_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  0.0  0.0  0.22  1.0
  Ba  Ba2  1  0.0  0.45  0.61  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.45  0.0  0.61  1.0

data_Ba2SiAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   6.26
_cell_angle_alpha   113.02
_cell_angle_beta   113.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2SiAg
_chemical_formula_sum   'Ba2 Si1 Ag1'
_cell_volume   125.06
_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  0.78  0.0  0.78  1.0
  Ba  Ba1  1  0.84  0.45  0.84  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Ag  Ag3  1  0.39  0.0  0.84  1.0

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