data_TaCdCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.3
_cell_length_b   7.3
_cell_length_c   7.3
_cell_angle_alpha   156.06
_cell_angle_beta   156.06
_cell_angle_gamma   34.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCdCl
_chemical_formula_sum   'Ta1 Cd1 Cl1'
_cell_volume   64.04
_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  Ta2  1  0.0  0.0  0.43  1.0
  Cd  Cd0  1  0.0  0.0  0.4  1.0
  Cl  Cl1  1  0.0  0.0  0.13  1.0

data_TaCdCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.28
_cell_length_b   4.28
_cell_length_c   7.3
_cell_angle_alpha   90.0
_cell_angle_beta   107.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaCdCl
_chemical_formula_sum   'Ta2 Cd2 Cl2'
_cell_volume   128.08
_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  0.43  0.0  0.43  1.0
  Cd  Cd1  2  0.4  0.0  0.4  1.0
  Cl  Cl2  2  0.13  0.0  0.13  1.0

Ta Cd Cl
Ta Cd Cl 0 1 o o o 0 2 o o o 1 2 o o o 