data_Tl2PtAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   3.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2PtAu
_chemical_formula_sum   'Tl2 Pt1 Au1'
_cell_volume   86.1
_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  0.87  0.89  0.53  1.0
  Tl  Tl3  1  0.87  0.11  0.53  1.0
  Pt  Pt1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.73  0.0  0.0  1.0

data_Tl2PtAu
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.06
_cell_length_b   5.31
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Tl2PtAu
_chemical_formula_sum   'Tl2 Pt1 Au1'
_cell_volume   86.1
_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  2  0.53  0.11  0.87  1.0
  Pt  Pt1  1  0.0  0.0  0.0  1.0
  Au  Au2  1  0.0  0.0  0.73  1.0

Tl Tl Pt Au