data_NaHgAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.03
_cell_length_b   4.43
_cell_length_c   6.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHgAu2
_chemical_formula_sum   'Na1 Hg1 Au2'
_cell_volume   81.12
_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  0.0  0.0  0.59  1.0
  Hg  Hg2  1  0.52  0.21  0.99  1.0
  Au  Au0  1  0.52  0.21  0.03  1.0
  Au  Au1  1  0.0  0.0  0.45  1.0

data_NaHgAu2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.43
_cell_length_b   3.03
_cell_length_c   6.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   NaHgAu2
_chemical_formula_sum   'Na1 Hg1 Au2'
_cell_volume   81.12
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.59  1.0
  Hg  Hg1  1  0.21  0.5  0.99  1.0
  Au  Au2  1  0.0  0.0  0.45  1.0
  Au  Au3  1  0.21  0.5  0.03  1.0

Na Hg Au Au