data_Sr2TlSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.83
_cell_length_b   6.83
_cell_length_c   4.98
_cell_angle_alpha   108.17
_cell_angle_beta   108.17
_cell_angle_gamma   40.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2TlSb
_chemical_formula_sum   'Sr2 Tl1 Sb1'
_cell_volume   141.14
_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  0.08  0.0  0.17  1.0
  Sr  Sr2  1  0.0  0.0  0.41  1.0
  Tl  Tl3  1  0.46  0.0  0.44  1.0
  Sb  Sb0  1  0.22  0.0  0.03  1.0

data_Sr2TlSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.69
_cell_length_b   4.98
_cell_length_c   6.83
_cell_angle_alpha   108.17
_cell_angle_beta   110.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2TlSb
_chemical_formula_sum   'Sr2 Tl1 Sb1'
_cell_volume   141.14
_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  0.17  0.08  1.0
  Sr  Sr1  1  0.0  0.41  0.0  1.0
  Tl  Tl2  1  0.0  0.44  0.46  1.0
  Sb  Sb3  1  0.0  0.03  0.22  1.0

Sr Sr Tl Sb
Sr Sr Tl Sb 0 1 o o o 0 3 o o o 0 2 o o o 2 3 o o o 