data_SrTi2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22
_cell_length_b   3.22
_cell_length_c   8.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTi2Ag
_chemical_formula_sum   'Sr1 Ti2 Ag1'
_cell_volume   90.17
_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
  Sr  Sr1  1  0.0  0.0  0.32  1.0
  Ti  Ti2  1  0.26  0.0  0.17  1.0
  Ti  Ti3  1  0.0  0.0  0.5  1.0
  Ag  Ag0  1  0.26  0.0  0.81  1.0

data_SrTi2Ag
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.22
_cell_length_b   3.22
_cell_length_c   8.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   SrTi2Ag
_chemical_formula_sum   'Sr1 Ti2 Ag1'
_cell_volume   90.18
_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
  Sr  Sr0  1  0.0  0.0  0.32  1.0
  Ti  Ti1  1  0.0  0.0  0.5  1.0
  Ti  Ti2  1  0.26  0.0  0.17  1.0
  Ag  Ag3  1  0.26  0.0  0.81  1.0

Sr Ti Ti Ag
Sr Ti Ti Ag 0 1 o o o 0 2 o o o 1 3 o o - 2 3 o o o 2 3 - o o 3 3 o + o 3 3 + o o 