data_AsAu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   7.03
_cell_angle_alpha   104.81
_cell_angle_beta   104.81
_cell_angle_gamma   29.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsAu5
_chemical_formula_sum   'As1 Au5'
_cell_volume   109.47
_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
  As  As0  1  0.15  0.0  0.77  1.0
  Au  Au1  1  0.74  0.0  0.26  1.0
  Au  Au2  1  0.45  0.0  0.54  1.0
  Au  Au3  1  0.79  0.0  0.87  1.0
  Au  Au4  1  0.48  0.0  0.15  1.0
  Au  Au5  1  0.2  0.0  0.41  1.0

data_AsAu5
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   5.71
_cell_length_c   7.03
_cell_angle_alpha   104.81
_cell_angle_beta   90.0
_cell_angle_gamma   104.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsAu5
_chemical_formula_sum   'As1 Au5'
_cell_volume   109.47
_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
  As  As0  1  0.0  0.85  0.23  1.0
  Au  Au1  1  0.0  0.21  0.13  1.0
  Au  Au2  1  0.0  0.26  0.74  1.0
  Au  Au3  1  0.0  0.52  0.85  1.0
  Au  Au4  1  0.0  0.55  0.46  1.0
  Au  Au5  1  0.0  0.8  0.59  1.0

As Au Au Au Au Au
As Au Au Au Au Au 0 0 + - o 0 3 - o o 0 5 o o o 0 2 o o o 0 4 o o + 1 4 o o o 1 3 o o - 2 5 o o o 2 3 o o o 3 4 o o + 3 3 + - o 