data_HfCdCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28
_cell_length_b   4.83
_cell_length_c   6.14
_cell_angle_alpha   90.0
_cell_angle_beta   104.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCdCl2
_chemical_formula_sum   'Hf1 Cd1 Cl2'
_cell_volume   94.39
_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  Hf3  1  0.5  0.42  0.54  1.0
  Cd  Cd0  1  0.83  0.0  0.2  1.0
  Cl  Cl1  1  0.13  0.42  0.55  1.0
  Cl  Cl2  1  0.51  0.0  0.64  1.0

data_HfCdCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   4.83
_cell_length_c   6.14
_cell_angle_alpha   90.0
_cell_angle_beta   104.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCdCl2
_chemical_formula_sum   'Hf1 Cd1 Cl2'
_cell_volume   94.39
_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  Hf0  1  0.5  0.42  0.54  1.0
  Cd  Cd1  1  0.83  0.0  0.2  1.0
  Cl  Cl2  1  0.13  0.42  0.55  1.0
  Cl  Cl3  1  0.51  0.0  0.64  1.0

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