data_TlSi2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   3.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSi2Au
_chemical_formula_sum   'Tl1 Si2 Au1'
_cell_volume   79.37
_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  0.99  0.0  0.0  1.0
  Si  Si1  1  0.5  0.03  0.64  1.0
  Si  Si2  1  0.5  0.97  0.64  1.0
  Au  Au0  1  0.0  0.0  0.0  1.0

data_TlSi2Au
_symmetry_space_group_name_H-M   P2
_cell_length_a   5.04
_cell_length_b   3.27
_cell_length_c   5.04
_cell_angle_alpha   90.0
_cell_angle_beta   107.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   TlSi2Au
_chemical_formula_sum   'Tl1 Si2 Au1'
_cell_volume   79.37
_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  1  0.5  0.0  0.0  1.0
  Si  Si1  2  0.0  0.36  0.03  1.0
  Au  Au2  1  0.5  0.0  0.0  1.0

Tl Si Si Au