data_TaCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   7.69
_cell_angle_alpha   103.87
_cell_angle_beta   103.87
_cell_angle_gamma   30.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCd2
_chemical_formula_sum   'Ta2 Cd4'
_cell_volume   118.91
_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  Ta4  1  0.91  0.0  0.88  1.0
  Ta  Ta5  1  0.98  0.0  0.57  1.0
  Cd  Cd0  1  0.77  0.0  0.97  1.0
  Cd  Cd1  1  0.63  0.0  0.36  1.0
  Cd  Cd2  1  0.27  0.0  0.09  1.0
  Cd  Cd3  1  0.13  0.0  0.48  1.0

data_TaCd2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.96
_cell_length_b   5.6
_cell_length_c   7.69
_cell_angle_alpha   103.87
_cell_angle_beta   90.0
_cell_angle_gamma   105.31
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TaCd2
_chemical_formula_sum   'Ta2 Cd4'
_cell_volume   118.91
_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  0.0  0.04  0.85  1.0
  Cd  Cd1  2  0.0  0.18  0.76  1.0
  Cd  Cd2  2  0.0  0.32  0.37  1.0

Ta Ta Cd Cd Cd Cd