data_TlInCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.87
_cell_length_b   3.87
_cell_length_c   7.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlInCl2
_chemical_formula_sum   'Tl1 In1 Cl2'
_cell_volume   116.43
_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  0.9  1.0
  In  In2  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.93  0.93  0.85  1.0
  Cl  Cl1  1  0.93  0.93  0.94  1.0

data_TlInCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   7.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlInCl2
_chemical_formula_sum   'Tl2 In2 Cl4'
_cell_volume   232.86
_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  0.9  1.0
  In  In1  2  0.0  0.0  0.0  1.0
  Cl  Cl2  2  0.43  0.5  0.85  1.0
  Cl  Cl3  2  0.43  0.5  0.94  1.0

Tl In Cl Cl
Tl In Cl Cl 0 2 - - o 0 3 - - o 1 3 - - - 