data_Ta2CdAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   5.4
_cell_angle_alpha   139.23
_cell_angle_beta   133.91
_cell_angle_gamma   63.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CdAu
_chemical_formula_sum   'Ta2 Cd1 Au1'
_cell_volume   73.14
_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  0.0  0.11  0.27  1.0
  Ta  Ta3  1  0.88  0.0  0.33  1.0
  Cd  Cd1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.6  1.0

data_Ta2CdAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.76
_cell_length_b   4.23
_cell_length_c   5.4
_cell_angle_alpha   113.04
_cell_angle_beta   110.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CdAu
_chemical_formula_sum   'Ta2 Cd1 Au1'
_cell_volume   73.14
_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  0.33  0.44  1.0
  Ta  Ta1  1  0.89  0.16  0.16  1.0
  Cd  Cd2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.0  0.6  0.6  1.0

Ta Ta Cd Au
Ta Ta Cd Au 0 2 o o o 0 1 - o o 1 3 + o o 