data_Sr2Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.89
_cell_length_b   6.89
_cell_length_c   6.89
_cell_angle_alpha   106.88
_cell_angle_beta   106.88
_cell_angle_gamma   114.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2Tl
_chemical_formula_sum   'Sr4 Tl2'
_cell_volume   249.96
_cell_formula_units_Z   2
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  0.49  0.62  0.0  1.0
  Sr  Sr1  1  0.62  0.49  0.71  1.0
  Sr  Sr2  1  0.59  0.49  0.0  1.0
  Sr  Sr3  1  0.51  0.62  0.71  1.0
  Tl  Tl4  1  0.0  0.0  0.57  1.0
  Tl  Tl5  1  0.0  0.0  0.86  1.0

data_Sr2Tl
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.89
_cell_length_b   6.89
_cell_length_c   6.89
_cell_angle_alpha   106.88
_cell_angle_beta   106.88
_cell_angle_gamma   114.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2Tl
_chemical_formula_sum   'Sr4 Tl2'
_cell_volume   249.96
_cell_formula_units_Z   2
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  0.49  0.62  0.0  1.0
  Sr  Sr1  1  0.51  0.62  0.71  1.0
  Sr  Sr2  1  0.59  0.49  0.0  1.0
  Sr  Sr3  1  0.62  0.49  0.71  1.0
  Tl  Tl4  1  0.0  0.0  0.57  1.0
  Tl  Tl5  1  0.0  0.0  0.86  1.0

Sr Sr Sr Sr Tl Tl