data_HgAs2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88
_cell_length_b   5.88
_cell_length_c   2.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   123.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgAs2Au
_chemical_formula_sum   'Hg1 As2 Au1'
_cell_volume   83.04
_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  0.78  0.0  0.0  1.0
  As  As0  1  0.39  0.41  0.44  1.0
  As  As1  1  0.39  0.59  0.44  1.0
  Au  Au2  1  0.0  0.0  0.0  1.0

data_HgAs2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   5.55
_cell_length_c   5.88
_cell_angle_alpha   118.16
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgAs2Au
_chemical_formula_sum   'Hg1 As2 Au1'
_cell_volume   83.04
_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  0.0  0.78  1.0
  As  As1  1  0.44  0.41  0.79  1.0
  As  As2  1  0.44  0.59  0.98  1.0
  Au  Au3  1  0.0  0.0  0.0  1.0

Hg As As Au