data_TlSiTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.67
_cell_length_b   8.67
_cell_length_c   8.67
_cell_angle_alpha   26.83
_cell_angle_beta   26.83
_cell_angle_gamma   26.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSiTe2
_chemical_formula_sum   'Tl1 Si1 Te2'
_cell_volume   117.12
_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  0.53  1.0
  Si  Si0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.0  0.0  0.28  1.0
  Te  Te2  1  0.0  0.0  0.78  1.0

data_TlSiTe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.97
_cell_length_b   4.02
_cell_length_c   8.67
_cell_angle_alpha   90.0
_cell_angle_beta   105.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlSiTe2
_chemical_formula_sum   'Tl2 Si2 Te4'
_cell_volume   234.24
_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  0.47  1.0
  Si  Si1  2  0.0  0.0  0.0  1.0
  Te  Te2  2  -0.0  0.0  0.72  1.0
  Te  Te3  2  -0.0  0.0  0.22  1.0

Tl Si Te Te