data_Na2HgAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   3.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2HgAu
_chemical_formula_sum   'Na2 Hg1 Au1'
_cell_volume   95.48
_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  Na2  1  0.64  0.81  0.66  1.0
  Na  Na3  1  0.64  0.19  0.66  1.0
  Hg  Hg1  1  0.28  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.0  1.0

data_Na2HgAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   5.47
_cell_length_c   5.47
_cell_angle_alpha   106.18
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2HgAu
_chemical_formula_sum   'Na2 Hg1 Au1'
_cell_volume   95.48
_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  0.66  0.64  0.19  1.0
  Na  Na1  1  0.66  0.64  0.81  1.0
  Hg  Hg2  1  -0.0  0.28  0.0  1.0
  Au  Au3  1  0.0  0.0  0.0  1.0

Na Na Hg Au