data_TlSnBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.82
_cell_length_b   11.82
_cell_length_c   11.82
_cell_angle_alpha   17.07
_cell_angle_beta   17.07
_cell_angle_gamma   17.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSnBi2
_chemical_formula_sum   'Tl1 Sn1 Bi2'
_cell_volume   124.15
_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  0.47  1.0
  Sn  Sn2  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.12  1.0
  Bi  Bi1  1  0.0  0.0  0.82  1.0

data_TlSnBi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.08
_cell_length_b   3.51
_cell_length_c   11.82
_cell_angle_alpha   90.0
_cell_angle_beta   99.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlSnBi2
_chemical_formula_sum   'Tl2 Sn2 Bi4'
_cell_volume   248.3
_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  0.53  1.0
  Sn  Sn1  2  -0.0  0.0  0.0  1.0
  Bi  Bi2  2  -0.0  0.0  0.88  1.0
  Bi  Bi3  2  -0.0  0.0  0.18  1.0

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