data_Tl2Si3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.65
_cell_length_b   9.65
_cell_length_c   9.65
_cell_angle_alpha   22.71
_cell_angle_beta   22.71
_cell_angle_gamma   22.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2Si3
_chemical_formula_sum   'Tl2 Si3'
_cell_volume   117.43
_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  Tl3  1  0.0  0.0  0.38  1.0
  Tl  Tl4  1  0.0  0.0  0.81  1.0
  Si  Si0  1  0.0  0.0  0.0  1.0
  Si  Si1  1  0.0  0.0  0.06  1.0
  Si  Si2  1  0.0  0.0  0.13  1.0

data_Tl2Si3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.58
_cell_length_b   3.8
_cell_length_c   9.65
_cell_angle_alpha   90.0
_cell_angle_beta   103.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl2Si3
_chemical_formula_sum   'Tl4 Si6'
_cell_volume   234.86
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  -0.0  0.0  0.19  1.0
  Tl  Tl1  2  0.0  0.0  0.62  1.0
  Si  Si2  2  0.0  0.0  0.0  1.0
  Si  Si3  2  0.0  0.0  0.87  1.0
  Si  Si4  2  0.0  0.0  0.94  1.0

Tl Tl Si Si Si