data_AsAu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.96
_cell_length_b   8.96
_cell_length_c   8.96
_cell_angle_alpha   153.05
_cell_angle_beta   153.05
_cell_angle_gamma   38.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsAu3
_chemical_formula_sum   'As2 Au6'
_cell_volume   147.34
_cell_formula_units_Z   2
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
  As  As0  1  0.0  0.0  0.34  1.0
  As  As1  1  0.0  0.0  0.57  1.0
  Au  Au2  1  0.09  0.0  0.0  1.0
  Au  Au3  1  0.0  0.09  0.0  1.0
  Au  Au4  1  0.09  0.0  0.23  1.0
  Au  Au5  1  0.0  0.09  0.23  1.0
  Au  Au6  1  0.0  0.0  0.12  1.0
  Au  Au7  1  0.0  0.0  0.79  1.0

data_AsAu3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.9
_cell_length_b   5.9
_cell_length_c   8.96
_cell_angle_alpha   90.0
_cell_angle_beta   109.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AsAu3
_chemical_formula_sum   'As4 Au12'
_cell_volume   294.68
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  As  As0  2  0.0  0.0  0.43  1.0
  As  As1  2  0.0  0.0  0.66  1.0
  Au  Au2  4  0.04  0.04  0.09  1.0
  Au  Au3  4  0.04  0.04  0.86  1.0
  Au  Au4  2  0.0  0.0  0.21  1.0
  Au  Au5  2  0.0  0.0  0.88  1.0

As As Au Au Au Au Au Au