data_HgAsAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.7
_cell_length_b   5.7
_cell_length_c   5.23
_cell_angle_alpha   103.97
_cell_angle_beta   103.97
_cell_angle_gamma   29.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgAsAu2
_chemical_formula_sum   'Hg1 As1 Au2'
_cell_volume   80.74
_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  Hg3  1  0.92  0.0  0.67  1.0
  As  As0  1  0.71  0.0  0.96  1.0
  Au  Au1  1  0.97  0.0  0.15  1.0
  Au  Au2  1  1.0  0.0  0.81  1.0

data_HgAsAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   5.23
_cell_length_c   5.7
_cell_angle_alpha   103.97
_cell_angle_beta   104.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgAsAu2
_chemical_formula_sum   'Hg1 As1 Au2'
_cell_volume   80.74
_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  0.0  0.67  0.92  1.0
  As  As1  1  0.0  0.96  0.71  1.0
  Au  Au2  1  0.0  0.15  0.97  1.0
  Au  Au3  1  0.0  0.81  1.0  1.0

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