data_TlBiCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62
_cell_length_b   5.62
_cell_length_c   3.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlBiCl2
_chemical_formula_sum   'Tl1 Bi1 Cl2'
_cell_volume   110.11
_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  0.0  1.0
  Bi  Bi0  1  0.81  0.81  0.0  1.0
  Cl  Cl1  1  0.81  0.0  0.74  1.0
  Cl  Cl2  1  0.0  0.81  0.74  1.0

data_TlBiCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.95
_cell_length_b   7.95
_cell_length_c   3.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlBiCl2
_chemical_formula_sum   'Tl2 Bi2 Cl4'
_cell_volume   220.21
_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  0.0  1.0
  Bi  Bi1  2  0.31  0.5  0.0  1.0
  Cl  Cl2  4  0.41  0.41  0.74  1.0

Tl Bi Cl Cl
Tl Bi Cl Cl 0 1 - - o 0 2 - o - 0 3 o - - 1 3 + o - 1 2 o + - 2 3 + - o 