data_LaHfAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.65
_cell_length_b   4.81
_cell_length_c   5.5
_cell_angle_alpha   90.0
_cell_angle_beta   100.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHfAu2
_chemical_formula_sum   'La1 Hf1 Au2'
_cell_volume   94.78
_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
  La  La3  1  0.17  0.0  0.47  1.0
  Hf  Hf2  1  0.51  0.4  0.18  1.0
  Au  Au0  1  0.05  0.4  0.2  1.0
  Au  Au1  1  0.85  0.0  0.68  1.0

data_LaHfAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.65
_cell_length_b   4.81
_cell_length_c   5.5
_cell_angle_alpha   90.0
_cell_angle_beta   100.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHfAu2
_chemical_formula_sum   'La1 Hf1 Au2'
_cell_volume   94.78
_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
  La  La0  1  0.17  0.0  0.47  1.0
  Hf  Hf1  1  0.51  0.4  0.18  1.0
  Au  Au2  1  0.05  0.4  0.2  1.0
  Au  Au3  1  0.85  0.0  0.68  1.0

La Hf Au Au
La Hf Au Au 0 3 - o o 1 2 o o o 1 2 + o o 