data_Zn2HgAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   4.81
_cell_length_c   4.86
_cell_angle_alpha   90.0
_cell_angle_beta   96.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2HgAu
_chemical_formula_sum   'Zn2 Hg1 Au1'
_cell_volume   75.52
_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
  Zn  Zn2  1  0.05  0.0  0.12  1.0
  Zn  Zn3  1  0.06  0.4  0.54  1.0
  Hg  Hg1  1  0.74  0.4  0.07  1.0
  Au  Au0  1  0.5  0.0  0.52  1.0

data_Zn2HgAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   4.81
_cell_length_c   4.86
_cell_angle_alpha   90.0
_cell_angle_beta   96.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2HgAu
_chemical_formula_sum   'Zn2 Hg1 Au1'
_cell_volume   75.52
_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
  Zn  Zn0  1  0.05  0.0  0.12  1.0
  Zn  Zn1  1  0.06  0.4  0.54  1.0
  Hg  Hg2  1  0.74  0.4  0.07  1.0
  Au  Au3  1  0.5  0.0  0.52  1.0

Zn Zn Hg Au
Zn Zn Hg Au 0 2 - o o 0 3 o o o 0 3 - o o 0 1 o o o 1 3 - o o 1 3 o o o 1 2 - o o 1 2 - o + 