data_SrTl2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.54
_cell_length_c   6.39
_cell_angle_alpha   90.0
_cell_angle_beta   104.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTl2Sb
_chemical_formula_sum   'Sr1 Tl2 Sb1'
_cell_volume   136.5
_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  0.24  0.0  0.13  1.0
  Tl  Tl2  1  0.33  0.27  0.56  1.0
  Tl  Tl3  1  0.85  0.0  0.01  1.0
  Sb  Sb0  1  0.81  0.27  0.78  1.0

data_SrTl2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.54
_cell_length_b   4.86
_cell_length_c   6.39
_cell_angle_alpha   104.22
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTl2Sb
_chemical_formula_sum   'Sr1 Tl2 Sb1'
_cell_volume   136.5
_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  0.76  0.87  1.0
  Tl  Tl1  1  0.0  0.15  0.99  1.0
  Tl  Tl2  1  0.73  0.67  0.44  1.0
  Sb  Sb3  1  0.73  0.19  0.22  1.0

Sr Tl Tl Sb