data_Hf5Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74
_cell_length_b   5.74
_cell_length_c   4.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf5Au
_chemical_formula_sum   'Hf5 Au1'
_cell_volume   142.34
_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  0.44  0.49  0.49  1.0
  Hf  Hf2  1  0.87  0.66  0.0  1.0
  Hf  Hf3  1  0.56  0.49  0.49  1.0
  Hf  Hf4  1  0.87  0.0  0.49  1.0
  Hf  Hf5  1  0.0  0.32  0.0  1.0
  Au  Au0  1  0.0  0.0  0.0  1.0

data_Hf5Au
_symmetry_space_group_name_H-M   Pm
_cell_length_a   5.74
_cell_length_b   4.98
_cell_length_c   5.74
_cell_angle_alpha   90.0
_cell_angle_beta   120.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Hf5Au
_chemical_formula_sum   'Hf5 Au1'
_cell_volume   142.34
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.32  1.0
  Hf  Hf1  1  0.44  0.5  0.49  1.0
  Hf  Hf2  1  0.56  0.5  0.49  1.0
  Hf  Hf3  1  0.87  0.0  0.66  1.0
  Hf  Hf4  1  0.87  0.5  0.0  1.0
  Au  Au5  1  0.0  0.0  0.0  1.0

Hf Hf Hf Hf Hf Au