data_Hg2AuCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   4.7
_cell_length_c   5.48
_cell_angle_alpha   90.0
_cell_angle_beta   112.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2AuCl
_chemical_formula_sum   'Hg2 Au1 Cl1'
_cell_volume   119.39
_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
  Hg  Hg2  1  0.19  0.35  0.31  1.0
  Hg  Hg3  1  0.73  0.35  0.74  1.0
  Au  Au0  1  0.51  0.0  0.0  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_Hg2AuCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.7
_cell_length_b   5.02
_cell_length_c   5.48
_cell_angle_alpha   112.58
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2AuCl
_chemical_formula_sum   'Hg2 Au1 Cl1'
_cell_volume   119.39
_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
  Hg  Hg0  1  0.65  0.27  0.26  1.0
  Hg  Hg1  1  0.65  0.81  0.69  1.0
  Au  Au2  1  0.0  0.49  -0.0  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Hg Hg Au Cl
Hg Hg Au Cl 0 3 o o o 0 1 o o o 1 2 o o + 1 3 + o + 2 3 o o o 2 3 + o o 