data_Hg2AsAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.63
_cell_length_b   6.63
_cell_length_c   6.63
_cell_angle_alpha   155.08
_cell_angle_beta   132.15
_cell_angle_gamma   54.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2AsAu
_chemical_formula_sum   'Hg2 As1 Au1'
_cell_volume   90.54
_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  0.0  0.0  0.38  1.0
  Hg  Hg3  1  0.0  0.69  0.76  1.0
  As  As0  1  0.0  0.0  0.48  1.0
  Au  Au1  1  0.43  0.0  0.16  1.0

data_Hg2AsAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   5.38
_cell_length_c   6.63
_cell_angle_alpha   113.93
_cell_angle_beta   102.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2AsAu
_chemical_formula_sum   'Hg2 As1 Au1'
_cell_volume   90.54
_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  0.24  0.93  0.93  1.0
  Hg  Hg1  1  0.62  0.62  0.62  1.0
  As  As2  1  0.52  0.52  0.52  1.0
  Au  Au3  1  0.27  0.84  0.27  1.0

Hg Hg As Au