data_TlSiAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   3.67
_cell_angle_alpha   97.6
_cell_angle_beta   97.6
_cell_angle_gamma   110.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSiAu2
_chemical_formula_sum   'Tl1 Si1 Au2'
_cell_volume   84.34
_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  0.86  0.0  0.0  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.06  0.79  1.0
  Au  Au1  1  0.0  0.94  0.79  1.0

data_TlSiAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   110.59
_cell_angle_beta   97.6
_cell_angle_gamma   97.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSiAu2
_chemical_formula_sum   'Tl1 Si1 Au2'
_cell_volume   84.34
_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  0.86  0.0  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Au  Au2  1  0.79  0.0  0.06  1.0
  Au  Au3  1  0.79  0.0  0.94  1.0

Tl Si Au Au