data_Tl4Au3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62
_cell_length_b   5.62
_cell_length_c   6.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl4Au3
_chemical_formula_sum   'Tl4 Au3'
_cell_volume   175.51
_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  0.0  0.84  1.0
  Tl  Tl4  1  0.0  0.0  0.59  1.0
  Tl  Tl5  1  0.0  0.24  0.0  1.0
  Tl  Tl6  1  0.81  0.62  0.0  1.0
  Au  Au0  1  0.4  0.43  0.21  1.0
  Au  Au1  1  0.81  0.0  0.21  1.0
  Au  Au2  1  0.6  0.43  0.21  1.0

data_Tl4Au3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.62
_cell_length_b   5.62
_cell_length_c   6.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl4Au3
_chemical_formula_sum   'Tl4 Au3'
_cell_volume   175.51
_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  0.0  0.59  1.0
  Tl  Tl1  1  0.0  0.0  0.84  1.0
  Tl  Tl2  1  0.0  0.24  0.0  1.0
  Tl  Tl3  1  0.81  0.62  0.0  1.0
  Au  Au4  1  0.4  0.43  0.21  1.0
  Au  Au5  1  0.6  0.43  0.21  1.0
  Au  Au6  1  0.81  0.0  0.21  1.0

Tl Tl Tl Tl Au Au Au