data_Ba2SrAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.19
_cell_length_b   4.19
_cell_length_c   10.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2SrAg
_chemical_formula_sum   'Ba2 Sr1 Ag1'
_cell_volume   187.13
_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  0.93  0.0  0.29  1.0
  Ba  Ba2  1  0.93  0.0  0.36  1.0
  Sr  Sr3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.33  1.0

data_Ba2SrAg
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.19
_cell_length_b   4.19
_cell_length_c   10.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Ba2SrAg
_chemical_formula_sum   'Ba2 Sr1 Ag1'
_cell_volume   187.18
_cell_formula_units_Z   1
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  1  0.93  0.0  0.29  1.0
  Ba  Ba1  1  0.93  0.0  0.36  1.0
  Sr  Sr2  1  0.0  0.0  0.0  1.0
  Ag  Ag3  1  0.0  0.0  0.33  1.0

Ba Ba Sr Ag
Ba Ba Sr Ag 0 3 + o o 0 2 + o o 1 3 + o o 1 2 + o o 2 3 o o o 