data_Tl2SnAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   3.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2SnAu
_chemical_formula_sum   'Tl2 Sn1 Au1'
_cell_volume   106.06
_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  0.62  0.31  0.77  1.0
  Tl  Tl3  1  0.62  0.69  0.77  1.0
  Sn  Sn1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.24  0.0  0.0  1.0

data_Tl2SnAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.55
_cell_length_b   5.64
_cell_length_c   5.64
_cell_angle_alpha   109.85
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2SnAu
_chemical_formula_sum   'Tl2 Sn1 Au1'
_cell_volume   106.06
_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  0.77  0.62  0.31  1.0
  Tl  Tl1  1  0.77  0.62  0.69  1.0
  Sn  Sn2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.0  0.24  0.0  1.0

Tl Tl Sn Au
Tl Tl Sn Au 0 3 o o + 0 1 o o o 1 2 + + + 2 3 o o o 