data_SrTl2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   5.38
_cell_angle_alpha   120.85
_cell_angle_beta   120.85
_cell_angle_gamma   88.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTl2Ag
_chemical_formula_sum   'Sr1 Tl2 Ag1'
_cell_volume   108.57
_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  0.0  1.0
  Tl  Tl2  1  0.65  0.0  0.93  1.0
  Tl  Tl3  1  0.0  0.65  0.93  1.0
  Ag  Ag0  1  0.0  0.0  0.85  1.0

data_SrTl2Ag
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.51
_cell_length_b   7.51
_cell_length_c   5.38
_cell_angle_alpha   90.0
_cell_angle_beta   134.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrTl2Ag
_chemical_formula_sum   'Sr2 Tl4 Ag2'
_cell_volume   217.14
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Tl  Tl1  4  0.4  0.33  0.73  1.0
  Ag  Ag2  2  0.15  0.0  0.15  1.0

Sr Tl Tl Ag
Sr Tl Tl Ag 0 3 o o - 0 1 - o - 0 2 o - - 