data_HfAsAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   4.07
_cell_angle_alpha   98.82
_cell_angle_beta   98.82
_cell_angle_gamma   38.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAsAu2
_chemical_formula_sum   'Hf1 As1 Au2'
_cell_volume   77.09
_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  0.88  0.0  0.01  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Au  Au1  1  0.88  0.0  0.96  1.0
  Au  Au2  1  0.87  0.0  0.06  1.0

data_HfAsAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   4.07
_cell_length_c   5.53
_cell_angle_alpha   98.82
_cell_angle_beta   109.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAsAu2
_chemical_formula_sum   'Hf1 As1 Au2'
_cell_volume   77.09
_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  Hf0  1  0.0  0.01  0.88  1.0
  As  As1  1  0.0  0.0  0.0  1.0
  Au  Au2  1  0.0  0.06  0.87  1.0
  Au  Au3  1  0.0  0.96  0.88  1.0

Hf As Au Au