data_HfZnAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.84
_cell_length_b   7.84
_cell_length_c   7.84
_cell_angle_alpha   25.72
_cell_angle_beta   25.72
_cell_angle_gamma   25.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZnAu2
_chemical_formula_sum   'Hf1 Zn1 Au2'
_cell_volume   80.02
_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  Hf2  1  0.0  0.0  0.37  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.01  1.0
  Au  Au1  1  0.0  0.0  0.73  1.0

data_HfZnAu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.05
_cell_length_b   3.49
_cell_length_c   7.84
_cell_angle_alpha   90.0
_cell_angle_beta   104.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfZnAu2
_chemical_formula_sum   'Hf2 Zn2 Au4'
_cell_volume   160.05
_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  -0.0  0.0  0.63  1.0
  Zn  Zn1  2  0.0  0.0  0.0  1.0
  Au  Au2  2  -0.0  0.0  0.99  1.0
  Au  Au3  2  -0.0  0.0  0.27  1.0

Hf Zn Au Au