data_Tl2InAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.08
_cell_length_b   7.08
_cell_length_c   4.69
_cell_angle_alpha   108.06
_cell_angle_beta   108.06
_cell_angle_gamma   29.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2InAu
_chemical_formula_sum   'Tl2 In1 Au1'
_cell_volume   110.54
_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  0.6  0.0  0.09  1.0
  Tl  Tl3  1  0.59  0.0  0.35  1.0
  In  In1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.09  0.0  0.22  1.0

data_Tl2InAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   4.69
_cell_length_c   7.08
_cell_angle_alpha   108.06
_cell_angle_beta   104.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2InAu
_chemical_formula_sum   'Tl2 In1 Au1'
_cell_volume   110.54
_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  0.0  0.09  0.6  1.0
  Tl  Tl1  1  0.0  0.35  0.59  1.0
  In  In2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.0  0.22  0.09  1.0

Tl Tl In Au
Tl Tl In Au 0 1 o o o 2 3 o o o 