data_TlSnBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17
_cell_length_b   6.17
_cell_length_c   6.17
_cell_angle_alpha   147.35
_cell_angle_beta   133.28
_cell_angle_gamma   58.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSnBi
_chemical_formula_sum   'Tl1 Sn1 Bi1'
_cell_volume   91.48
_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  0.0  0.0  0.59  1.0
  Sn  Sn1  1  0.0  0.0  0.09  1.0
  Bi  Bi0  1  0.0  0.0  0.1  1.0

data_TlSnBi
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.47
_cell_length_b   4.89
_cell_length_c   6.17
_cell_angle_alpha   113.36
_cell_angle_beta   106.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TlSnBi
_chemical_formula_sum   'Tl1 Sn1 Bi1'
_cell_volume   91.48
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.0  0.0  1.0
  Sn  Sn1  1  0.5  0.5  0.5  1.0
  Bi  Bi2  1  0.5  0.5  0.5  1.0

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