data_Hg2AsAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.28
_cell_length_b   6.28
_cell_length_c   5.49
_cell_angle_alpha   112.49
_cell_angle_beta   112.49
_cell_angle_gamma   26.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2AsAu
_chemical_formula_sum   'Hg2 As1 Au1'
_cell_volume   87.35
_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  0.36  0.0  0.75  1.0
  Hg  Hg3  1  0.72  0.0  0.29  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Au  Au1  1  0.04  0.0  0.52  1.0

data_Hg2AsAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   5.49
_cell_length_c   6.28
_cell_angle_alpha   112.49
_cell_angle_beta   103.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2AsAu
_chemical_formula_sum   'Hg2 As1 Au1'
_cell_volume   87.35
_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  0.29  0.72  1.0
  Hg  Hg1  1  0.0  0.75  0.36  1.0
  As  As2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.0  0.52  0.04  1.0

Hg Hg As Au