data_TlCdAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83
_cell_length_b   5.83
_cell_length_c   5.83
_cell_angle_alpha   144.66
_cell_angle_beta   129.79
_cell_angle_gamma   62.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCdAu2
_chemical_formula_sum   'Tl1 Cd1 Au2'
_cell_volume   86.98
_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  0.0  0.47  0.57  1.0
  Cd  Cd2  1  0.0  0.0  0.77  1.0
  Au  Au0  1  0.0  0.0  0.18  1.0
  Au  Au1  1  0.77  0.0  0.42  1.0

data_TlCdAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   4.95
_cell_length_c   5.83
_cell_angle_alpha   115.11
_cell_angle_beta   107.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCdAu2
_chemical_formula_sum   'Tl1 Cd1 Au2'
_cell_volume   86.98
_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  0.53  0.1  0.1  1.0
  Cd  Cd1  1  0.0  0.77  0.77  1.0
  Au  Au2  1  0.0  0.18  0.18  1.0
  Au  Au3  1  0.0  0.42  0.65  1.0

Tl Cd Au Au