data_Hf2CdCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   4.82
_cell_angle_alpha   118.48
_cell_angle_beta   118.48
_cell_angle_gamma   92.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2CdCl
_chemical_formula_sum   'Hf2 Cd1 Cl1'
_cell_volume   80.73
_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
  Hf  Hf2  1  0.46  0.0  0.66  1.0
  Hf  Hf3  1  0.0  0.46  0.66  1.0
  Cd  Cd0  1  0.0  0.0  0.33  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_Hf2CdCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.65
_cell_length_b   6.97
_cell_length_c   4.82
_cell_angle_alpha   90.0
_cell_angle_beta   133.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf2CdCl
_chemical_formula_sum   'Hf4 Cd2 Cl2'
_cell_volume   161.47
_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
  Hf  Hf0  4  0.27  0.27  0.34  1.0
  Cd  Cd1  2  0.0  0.0  0.67  1.0
  Cl  Cl2  2  0.0  0.0  0.0  1.0

Hf Hf Cd Cl
Hf Hf Cd Cl 0 2 o o o 0 3 + o + 1 3 o + + 1 2 o o o 2 3 o o o 