data_SrTiTl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.88
_cell_length_b   4.0
_cell_length_c   7.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTiTl2
_chemical_formula_sum   'Sr1 Ti1 Tl2'
_cell_volume   119.35
_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  0.94  1.0  0.89  1.0
  Ti  Ti1  1  0.0  0.0  0.38  1.0
  Tl  Tl2  1  0.94  1.0  0.35  1.0
  Tl  Tl3  1  0.0  0.0  0.64  1.0

data_SrTiTl2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.88
_cell_length_b   4.0
_cell_length_c   7.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   SrTiTl2
_chemical_formula_sum   'Sr1 Ti1 Tl2'
_cell_volume   119.35
_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  0.94  0.5  0.89  1.0
  Ti  Ti1  1  0.0  0.5  0.38  1.0
  Tl  Tl2  1  0.0  0.5  0.64  1.0
  Tl  Tl3  1  0.94  0.5  0.35  1.0

Sr Ti Tl Tl