data_TaTlAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.63
_cell_length_b   7.45
_cell_length_c   3.0
_cell_angle_alpha   81.96
_cell_angle_beta   75.1
_cell_angle_gamma   22.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTlAu
_chemical_formula_sum   'Ta1 Tl1 Au1'
_cell_volume   62.13
_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
  Ta  Ta1  1  0.77  0.43  0.95  1.0
  Tl  Tl2  1  0.77  0.43  0.67  1.0
  Au  Au0  1  0.77  0.43  0.33  1.0

data_TaTlAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.54
_cell_length_b   14.47
_cell_length_c   3.0
_cell_angle_alpha   90.0
_cell_angle_beta   126.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaTlAu
_chemical_formula_sum   'Ta2 Tl2 Au2'
_cell_volume   124.27
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ta  Ta0  2  0.36  0.5  0.29  1.0
  Tl  Tl1  2  0.14  0.0  0.57  1.0
  Au  Au2  2  0.48  0.0  0.9  1.0

Ta Tl Au