data_NaHgAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   5.34
_cell_angle_alpha   99.78
_cell_angle_beta   99.78
_cell_angle_gamma   31.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHgAu2
_chemical_formula_sum   'Na1 Hg1 Au2'
_cell_volume   81.36
_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  0.54  0.0  0.25  1.0
  Hg  Hg2  1  0.83  0.0  0.7  1.0
  Au  Au0  1  0.28  0.0  0.02  1.0
  Au  Au1  1  0.96  0.0  0.92  1.0

data_NaHgAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   5.34
_cell_length_c   5.41
_cell_angle_alpha   99.78
_cell_angle_beta   105.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHgAu2
_chemical_formula_sum   'Na1 Hg1 Au2'
_cell_volume   81.36
_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  0.25  0.54  1.0
  Hg  Hg1  1  0.0  0.7  0.83  1.0
  Au  Au2  1  0.0  0.02  0.28  1.0
  Au  Au3  1  0.0  0.92  0.96  1.0

Na Hg Au Au
Na Hg Au Au 0 2 o o o 1 3 o o o 2 3 - o - 