data_HfAuCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.98
_cell_length_b   7.65
_cell_length_c   3.23
_cell_angle_alpha   83.79
_cell_angle_beta   72.47
_cell_angle_gamma   23.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAuCl
_chemical_formula_sum   'Hf1 Au1 Cl1'
_cell_volume   68.13
_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  0.64  0.79  0.91  1.0
  Au  Au0  1  0.64  0.79  0.6  1.0
  Cl  Cl1  1  0.64  0.79  0.38  1.0

data_HfAuCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.27
_cell_length_b   14.95
_cell_length_c   3.23
_cell_angle_alpha   90.0
_cell_angle_beta   120.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfAuCl
_chemical_formula_sum   'Hf2 Au2 Cl2'
_cell_volume   136.26
_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  0.14  0.5  0.55  1.0
  Au  Au1  2  0.14  0.5  0.24  1.0
  Cl  Cl2  2  0.14  0.5  0.02  1.0

Hf Au Cl