data_TaBiAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   4.49
_cell_length_c   6.37
_cell_angle_alpha   90.0
_cell_angle_beta   103.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBiAu2
_chemical_formula_sum   'Ta1 Bi1 Au2'
_cell_volume   85.1
_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  0.54  0.0  0.01  1.0
  Bi  Bi2  1  0.93  0.25  0.08  1.0
  Au  Au0  1  0.19  0.25  0.02  1.0
  Au  Au1  1  0.37  0.0  0.41  1.0

data_TaBiAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   4.49
_cell_length_c   6.37
_cell_angle_alpha   90.0
_cell_angle_beta   103.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBiAu2
_chemical_formula_sum   'Ta1 Bi1 Au2'
_cell_volume   85.1
_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  0.54  0.0  0.01  1.0
  Bi  Bi1  1  0.93  0.25  0.08  1.0
  Au  Au2  1  0.19  0.25  0.02  1.0
  Au  Au3  1  0.37  0.0  0.41  1.0

Ta Bi Au Au