data_Na2HgAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   130.3
_cell_angle_beta   130.3
_cell_angle_gamma   72.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2HgAu
_chemical_formula_sum   'Na2 Hg1 Au1'
_cell_volume   90.7
_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  0.0  0.0  0.0  1.0
  Na  Na3  1  0.28  0.0  0.18  1.0
  Hg  Hg1  1  0.0  0.28  0.18  1.0
  Au  Au0  1  0.0  0.0  0.36  1.0

data_Na2HgAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   5.43
_cell_angle_alpha   114.85
_cell_angle_beta   114.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2HgAu
_chemical_formula_sum   'Na2 Hg1 Au1'
_cell_volume   90.7
_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  0.0  1.0
  Na  Na1  1  0.82  0.0  0.1  1.0
  Hg  Hg2  1  0.1  0.28  0.1  1.0
  Au  Au3  1  0.64  0.0  0.64  1.0

Na Na Hg Au