data_Tl2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   3.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2Si
_chemical_formula_sum   'Tl2 Si1'
_cell_volume   77.33
_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  Tl1  1  0.0  0.0  0.42  1.0
  Tl  Tl2  1  0.6  0.5  0.88  1.0
  Si  Si0  1  0.0  0.0  0.0  1.0

data_Tl2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2Si
_chemical_formula_sum   'Tl2 Si1'
_cell_volume   77.33
_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  0.42  0.0  0.0  1.0
  Tl  Tl1  1  0.88  0.6  0.5  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0

Tl Tl Si
Tl Tl Si 0 2 o o o 0 1 - - o 0 1 - - - 1 2 o o + 1 2 + + + 