data_TlGeAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15
_cell_length_b   4.08
_cell_length_c   6.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlGeAu2
_chemical_formula_sum   'Tl1 Ge1 Au2'
_cell_volume   88.25
_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  0.58  0.04  0.3  1.0
  Ge  Ge2  1  0.0  0.0  0.91  1.0
  Au  Au0  1  0.0  0.0  0.21  1.0
  Au  Au1  1  0.58  0.04  0.87  1.0

data_TlGeAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   4.08
_cell_length_c   6.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlGeAu2
_chemical_formula_sum   'Tl1 Ge1 Au2'
_cell_volume   88.25
_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  0.58  0.04  0.3  1.0
  Ge  Ge1  1  0.0  0.0  0.91  1.0
  Au  Au2  1  0.0  0.0  0.21  1.0
  Au  Au3  1  0.58  0.04  0.87  1.0

Tl Ge Au Au