data_Hf2TaAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09
_cell_length_b   3.09
_cell_length_c   8.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TaAu
_chemical_formula_sum   'Hf2 Ta1 Au1'
_cell_volume   80.03
_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  0.27  1.0
  Hf  Hf2  1  0.55  0.55  0.14  1.0
  Ta  Ta3  1  0.0  0.0  0.27  1.0
  Au  Au0  1  0.55  0.55  0.21  1.0

data_Hf2TaAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   8.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf2TaAu
_chemical_formula_sum   'Hf4 Ta2 Au2'
_cell_volume   160.06
_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  0.27  1.0
  Hf  Hf1  2  0.05  0.5  0.14  1.0
  Ta  Ta2  2  0.0  0.0  0.27  1.0
  Au  Au3  2  0.05  0.5  0.21  1.0

Hf Hf Ta Au 0 2 o o o 1 3 o o o 