data_HfPbCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.85
_cell_length_b   7.85
_cell_length_c   7.85
_cell_angle_alpha   156.49
_cell_angle_beta   156.49
_cell_angle_gamma   33.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfPbCl
_chemical_formula_sum   'Hf1 Pb1 Cl1'
_cell_volume   77.02
_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  Hf1  1  0.0  0.0  0.31  1.0
  Pb  Pb2  1  0.0  0.0  0.43  1.0
  Cl  Cl0  1  0.0  0.0  0.34  1.0

data_HfPbCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   7.85
_cell_angle_alpha   90.0
_cell_angle_beta   106.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfPbCl
_chemical_formula_sum   'Hf2 Pb2 Cl2'
_cell_volume   154.04
_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  2  0.31  0.0  0.31  1.0
  Pb  Pb1  2  0.43  0.0  0.43  1.0
  Cl  Cl2  2  0.34  0.0  0.34  1.0

Hf Pb Cl
Hf Pb Cl 0 2 o o o 1 2 o o o 