data_TlSnSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   3.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSnSb
_chemical_formula_sum   'Tl1 Sn1 Sb1'
_cell_volume   87.78
_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  0.77  0.6  0.28  1.0
  Sn  Sn1  1  0.0  0.0  0.58  1.0
  Sb  Sb0  1  1.0  0.2  0.43  1.0

data_TlSnSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   5.54
_cell_length_c   5.54
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSnSb
_chemical_formula_sum   'Tl1 Sn1 Sb1'
_cell_volume   87.78
_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  Tl0  1  0.28  0.77  0.6  1.0
  Sn  Sn1  1  0.58  0.0  0.0  1.0
  Sb  Sb2  1  0.43  1.0  0.2  1.0

Tl Sn Sb
Tl Sn Sb 0 1 + + o 1 2 - o o 