data_TaSbAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   3.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSbAu2
_chemical_formula_sum   'Ta1 Sb1 Au2'
_cell_volume   77.97
_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  Ta3  1  0.82  0.0  0.0  1.0
  Sb  Sb2  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.41  0.8  0.57  1.0
  Au  Au1  1  0.41  0.2  0.57  1.0

data_TaSbAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   114.73
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSbAu2
_chemical_formula_sum   'Ta1 Sb1 Au2'
_cell_volume   77.97
_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  Ta0  1  -0.0  0.82  0.0  1.0
  Sb  Sb1  1  0.0  0.0  0.0  1.0
  Au  Au2  1  0.57  0.41  0.2  1.0
  Au  Au3  1  0.57  0.41  0.8  1.0

Ta Sb Au Au