data_HfPbCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23
_cell_length_b   6.23
_cell_length_c   6.49
_cell_angle_alpha   118.59
_cell_angle_beta   118.59
_cell_angle_gamma   30.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfPbCl2
_chemical_formula_sum   'Hf1 Pb1 Cl2'
_cell_volume   110.06
_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  0.63  0.0  0.5  1.0
  Pb  Pb3  1  0.29  0.0  0.54  1.0
  Cl  Cl0  1  0.12  0.0  0.36  1.0
  Cl  Cl1  1  0.99  0.0  0.68  1.0

data_HfPbCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   6.23
_cell_length_c   6.49
_cell_angle_alpha   118.59
_cell_angle_beta   90.0
_cell_angle_gamma   105.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfPbCl2
_chemical_formula_sum   'Hf1 Pb1 Cl2'
_cell_volume   110.06
_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  0.0  0.37  0.5  1.0
  Pb  Pb1  1  0.0  0.71  0.46  1.0
  Cl  Cl2  1  0.0  0.01  0.32  1.0
  Cl  Cl3  1  0.0  0.88  0.64  1.0

Hf Pb Cl Cl
Hf Pb Cl Cl 0 1 o o o 0 3 o o o 1 2 o o o 1 3 - o o 