data_Ta2PdAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.86
_cell_length_b   4.2
_cell_length_c   5.69
_cell_angle_alpha   90.0
_cell_angle_beta   91.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2PdAu
_chemical_formula_sum   'Ta2 Pd1 Au1'
_cell_volume   68.26
_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  Ta2  1  0.38  0.1  0.39  1.0
  Ta  Ta3  1  0.34  0.1  0.29  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.93  0.0  0.84  1.0

data_Ta2PdAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.2
_cell_length_c   5.69
_cell_angle_alpha   90.0
_cell_angle_beta   91.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2PdAu
_chemical_formula_sum   'Ta2 Pd1 Au1'
_cell_volume   68.26
_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  0.34  0.1  0.29  1.0
  Ta  Ta1  1  0.38  0.1  0.39  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.93  0.0  0.84  1.0

Ta Ta Pd Au
Ta Ta Pd Au 0 1 o o o 2 3 - o - 