data_HfCuAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   4.82
_cell_angle_alpha   126.97
_cell_angle_beta   126.97
_cell_angle_gamma   78.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCuAu2
_chemical_formula_sum   'Hf1 Cu1 Au2'
_cell_volume   69.11
_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  0.0  0.0  0.74  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.15  0.87  1.0
  Au  Au1  1  0.15  0.0  0.87  1.0

data_HfCuAu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.08
_cell_length_b   6.08
_cell_length_c   4.82
_cell_angle_alpha   90.0
_cell_angle_beta   129.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfCuAu2
_chemical_formula_sum   'Hf2 Cu2 Au4'
_cell_volume   138.22
_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  0.26  0.0  0.26  1.0
  Cu  Cu1  2  0.0  0.0  0.0  1.0
  Au  Au2  4  0.21  0.08  0.28  1.0

Hf Cu Au Au