data_Ta2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   2.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2Cd
_chemical_formula_sum   'Ta2 Cd1'
_cell_volume   57.41
_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  0.42  0.4  0.42  1.0
  Ta  Ta2  1  0.0  0.79  0.42  1.0
  Cd  Cd0  1  0.0  0.0  0.0  1.0

data_Ta2Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   4.83
_cell_length_c   4.83
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2Cd
_chemical_formula_sum   'Ta2 Cd1'
_cell_volume   57.41
_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  0.42  0.0  0.79  1.0
  Ta  Ta1  1  0.42  0.42  0.4  1.0
  Cd  Cd2  1  0.0  0.0  0.0  1.0

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