data_TlSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45
_cell_length_b   3.45
_cell_length_c   5.79
_cell_angle_alpha   96.51
_cell_angle_beta   96.51
_cell_angle_gamma   60.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSn
_chemical_formula_sum   'Tl1 Sn1'
_cell_volume   59.27
_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
  Tl  Tl0  1  0.79  0.0  0.43  1.0
  Sn  Sn1  1  0.41  0.0  0.32  1.0

data_TlSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   3.45
_cell_length_c   5.79
_cell_angle_alpha   83.49
_cell_angle_beta   83.49
_cell_angle_gamma   60.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSn
_chemical_formula_sum   'Tl1 Sn1'
_cell_volume   59.27
_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
  Tl  Tl0  1  0.21  0.0  0.43  1.0
  Sn  Sn1  1  0.59  0.0  0.32  1.0

Tl Sn