data_TaCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   5.31
_cell_angle_alpha   32.34
_cell_angle_beta   32.34
_cell_angle_gamma   32.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCd
_chemical_formula_sum   'Ta1 Cd1'
_cell_volume   38.18
_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  0.0  0.0  0.55  1.0
  Cd  Cd0  1  0.0  0.0  0.0  1.0

data_TaCd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.13
_cell_length_b   2.96
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   108.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaCd
_chemical_formula_sum   'Ta2 Cd2'
_cell_volume   76.36
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.45  1.0
  Cd  Cd1  2  0.0  0.0  0.0  1.0

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