data_TaCd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   10.13
_cell_length_c   6.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCd3
_chemical_formula_sum   'Ta4 Cd12'
_cell_volume   328.74
_cell_formula_units_Z   4
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  Ta12  1  0.56  0.6  0.27  1.0
  Ta  Ta13  1  0.99  0.53  0.08  1.0
  Ta  Ta14  1  0.1  0.6  0.3  1.0
  Ta  Ta15  1  0.53  0.53  0.11  1.0
  Cd  Cd0  1  0.68  0.53  0.5  1.0
  Cd  Cd1  1  0.21  0.01  0.45  1.0
  Cd  Cd2  1  0.21  0.06  0.45  1.0
  Cd  Cd3  1  0.34  0.07  0.63  1.0
  Cd  Cd4  1  0.34  0.12  0.63  1.0
  Cd  Cd5  1  0.96  0.6  0.31  1.0
  Cd  Cd6  1  0.13  0.53  0.07  1.0
  Cd  Cd7  1  0.75  0.01  0.74  1.0
  Cd  Cd8  1  0.75  0.06  0.74  1.0
  Cd  Cd9  1  0.88  0.07  0.93  1.0
  Cd  Cd10  1  0.88  0.12  0.93  1.0
  Cd  Cd11  1  0.41  0.6  0.88  1.0

data_TaCd3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.09
_cell_length_b   6.38
_cell_length_c   10.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TaCd3
_chemical_formula_sum   'Ta4 Cd12'
_cell_volume   328.74
_cell_formula_units_Z   4
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  0.01  0.58  0.03  1.0
  Ta  Ta1  2  0.44  0.39  0.97  1.0
  Cd  Cd2  2  0.13  0.81  0.97  1.0
  Cd  Cd3  2  0.21  0.05  0.44  1.0
  Cd  Cd4  2  0.21  0.05  0.49  1.0
  Cd  Cd5  2  0.34  0.24  0.51  1.0
  Cd  Cd6  2  0.34  0.24  0.56  1.0
  Cd  Cd7  2  0.41  0.62  0.03  1.0

Ta Ta Ta Ta Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd Cd