data_LiHfAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   4.79
_cell_angle_alpha   99.9
_cell_angle_beta   99.9
_cell_angle_gamma   36.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHfAu2
_chemical_formula_sum   'Li1 Hf1 Au2'
_cell_volume   73.58
_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
  Li  Li3  1  0.83  0.0  0.81  1.0
  Hf  Hf2  1  0.37  0.0  0.13  1.0
  Au  Au0  1  0.21  0.0  0.48  1.0
  Au  Au1  1  0.06  0.0  0.36  1.0

data_LiHfAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.79
_cell_length_c   5.14
_cell_angle_alpha   99.9
_cell_angle_beta   108.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHfAu2
_chemical_formula_sum   'Li1 Hf1 Au2'
_cell_volume   73.58
_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
  Li  Li0  1  0.0  0.81  0.83  1.0
  Hf  Hf1  1  0.0  0.13  0.37  1.0
  Au  Au2  1  0.0  0.36  0.06  1.0
  Au  Au3  1  0.0  0.48  0.21  1.0

Li Hf Au Au