data_TlSiCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.23
_cell_length_b   7.86
_cell_length_c   3.34
_cell_angle_alpha   84.3
_cell_angle_beta   71.89
_cell_angle_gamma   23.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSiCl
_chemical_formula_sum   'Tl1 Si1 Cl1'
_cell_volume   72.57
_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  Tl2  1  0.61  0.92  0.38  1.0
  Si  Si1  1  0.61  0.92  0.41  1.0
  Cl  Cl0  1  0.61  0.92  0.98  1.0

data_TlSiCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.23
_cell_length_b   15.38
_cell_length_c   3.34
_cell_angle_alpha   90.0
_cell_angle_beta   118.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlSiCl
_chemical_formula_sum   'Tl2 Si2 Cl2'
_cell_volume   145.14
_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  0.09  0.0  0.01  1.0
  Si  Si1  2  0.05  0.0  0.98  1.0
  Cl  Cl2  2  0.49  0.0  0.41  1.0

Tl Si Cl
Tl Si Cl 0 1 o o o 0 2 o o - 1 2 o o - 