data_TlSiCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.04
_cell_length_b   6.04
_cell_length_c   6.04
_cell_angle_alpha   143.81
_cell_angle_beta   122.91
_cell_angle_gamma   69.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSiCl2
_chemical_formula_sum   'Tl1 Si1 Cl2'
_cell_volume   107.69
_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  0.97  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.0  0.89  0.2  1.0
  Cl  Cl1  1  0.88  0.0  0.76  1.0

data_TlSiCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   5.78
_cell_length_c   6.04
_cell_angle_alpha   118.54
_cell_angle_beta   108.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSiCl2
_chemical_formula_sum   'Tl1 Si1 Cl2'
_cell_volume   107.69
_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  0.0  0.97  0.97  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.0  0.76  0.89  1.0
  Cl  Cl3  1  0.11  0.31  0.31  1.0

Tl Si Cl Cl