data_TlAgAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   5.11
_cell_angle_alpha   102.06
_cell_angle_beta   102.06
_cell_angle_gamma   35.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlAgAu2
_chemical_formula_sum   'Tl1 Ag1 Au2'
_cell_volume   80.99
_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  0.49  0.0  0.52  1.0
  Ag  Ag0  1  0.19  0.0  0.16  1.0
  Au  Au1  1  0.05  0.0  0.02  1.0
  Au  Au2  1  0.75  0.0  0.78  1.0

data_TlAgAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   5.11
_cell_length_c   5.29
_cell_angle_alpha   102.06
_cell_angle_beta   107.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlAgAu2
_chemical_formula_sum   'Tl1 Ag1 Au2'
_cell_volume   80.99
_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  0.52  0.49  1.0
  Ag  Ag1  1  0.0  0.16  0.19  1.0
  Au  Au2  1  0.0  0.02  0.05  1.0
  Au  Au3  1  0.0  0.78  0.75  1.0

Tl Ag Au Au