data_TaCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   2.9
_cell_length_c   5.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCd
_chemical_formula_sum   'Ta2 Cd2'
_cell_volume   77.56
_cell_formula_units_Z   2
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  0.68  0.45  0.67  1.0
  Ta  Ta3  1  0.23  0.45  0.78  1.0
  Cd  Cd0  1  0.68  0.0  0.48  1.0
  Cd  Cd1  1  0.23  0.0  0.97  1.0

data_TaCd
_symmetry_space_group_name_H-M   P2
_cell_length_a   4.9
_cell_length_b   2.9
_cell_length_c   5.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   TaCd
_chemical_formula_sum   'Ta2 Cd2'
_cell_volume   77.56
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.23  0.45  0.45  1.0
  Cd  Cd1  2  0.23  0.0  0.26  1.0

Ta Ta Cd Cd