data_NaHgAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   5.26
_cell_angle_alpha   131.51
_cell_angle_beta   131.51
_cell_angle_gamma   71.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHgAu2
_chemical_formula_sum   'Na1 Hg1 Au2'
_cell_volume   79.91
_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  0.0  1.0
  Hg  Hg2  1  0.0  0.0  0.28  1.0
  Au  Au0  1  0.16  0.0  0.14  1.0
  Au  Au1  1  0.0  0.16  0.14  1.0

data_NaHgAu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.11
_cell_length_b   6.11
_cell_length_c   5.26
_cell_angle_alpha   90.0
_cell_angle_beta   125.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaHgAu2
_chemical_formula_sum   'Na2 Hg2 Au4'
_cell_volume   159.82
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Hg  Hg1  2  0.22  0.5  0.72  1.0
  Au  Au2  4  0.44  0.42  0.02  1.0

Na Hg Au Au