data_NaHfAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   5.01
_cell_angle_alpha   99.91
_cell_angle_beta   99.91
_cell_angle_gamma   33.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHfAu2
_chemical_formula_sum   'Na1 Hf1 Au2'
_cell_volume   80.51
_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
  Na  Na3  1  0.01  0.0  0.0  1.0
  Hf  Hf2  1  0.65  0.0  0.14  1.0
  Au  Au0  1  0.26  0.0  0.67  1.0
  Au  Au1  1  0.54  0.0  0.5  1.0

data_NaHfAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   5.01
_cell_length_c   5.46
_cell_angle_alpha   99.91
_cell_angle_beta   106.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHfAu2
_chemical_formula_sum   'Na1 Hf1 Au2'
_cell_volume   80.51
_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
  Na  Na0  1  0.0  0.0  0.01  1.0
  Hf  Hf1  1  0.0  0.14  0.65  1.0
  Au  Au2  1  0.0  0.5  0.54  1.0
  Au  Au3  1  0.0  0.67  0.26  1.0

Na Hf Au Au