data_Sr2TiTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.16
_cell_length_b   6.16
_cell_length_c   6.16
_cell_angle_alpha   131.42
_cell_angle_beta   131.42
_cell_angle_gamma   71.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2TiTl
_chemical_formula_sum   'Sr2 Ti1 Tl1'
_cell_volume   128.65
_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  0.01  1.0
  Sr  Sr1  1  0.0  0.53  0.51  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.53  0.0  0.51  1.0

data_Sr2TiTl
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   6.16
_cell_angle_alpha   114.29
_cell_angle_beta   114.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2TiTl
_chemical_formula_sum   'Sr2 Ti1 Tl1'
_cell_volume   128.65
_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  0.03  0.53  0.03  1.0
  Sr  Sr1  1  0.99  0.0  0.99  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.49  0.0  0.03  1.0

Sr Sr Ti Tl