data_SrTi2Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.59
_cell_length_b   4.03
_cell_length_c   7.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTi2Tl
_chemical_formula_sum   'Sr1 Ti2 Tl1'
_cell_volume   106.11
_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  Sr0  1  0.0  0.0  0.0  1.0
  Ti  Ti1  1  0.79  0.01  0.43  1.0
  Ti  Ti2  1  0.79  0.01  0.91  1.0
  Tl  Tl3  1  0.0  0.0  0.67  1.0

data_SrTi2Tl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   4.03
_cell_length_c   7.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTi2Tl
_chemical_formula_sum   'Sr1 Ti2 Tl1'
_cell_volume   106.11
_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  Sr0  1  0.0  0.0  0.0  1.0
  Ti  Ti1  1  0.79  0.01  0.43  1.0
  Ti  Ti2  1  0.79  0.01  0.91  1.0
  Tl  Tl3  1  0.0  0.0  0.67  1.0

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