data_Pb5Au3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.78
_cell_length_b   8.78
_cell_length_c   8.78
_cell_angle_alpha   97.54
_cell_angle_beta   97.54
_cell_angle_gamma   137.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pb5Au3
_chemical_formula_sum   'Pb10 Au6'
_cell_volume   425.82
_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
  Pb  Pb6  1  0.79  0.0  0.59  1.0
  Pb  Pb7  1  0.0  0.79  0.59  1.0
  Pb  Pb8  1  0.9  0.11  0.0  1.0
  Pb  Pb9  1  0.89  0.67  0.18  1.0
  Pb  Pb10  1  0.9  0.46  0.18  1.0
  Pb  Pb11  1  0.89  0.33  0.0  1.0
  Pb  Pb12  1  0.33  0.69  0.0  1.0
  Pb  Pb13  1  0.46  0.1  0.18  1.0
  Pb  Pb14  1  0.46  0.9  0.0  1.0
  Pb  Pb15  1  0.33  0.89  0.18  1.0
  Au  Au0  1  0.0  0.0  0.77  1.0
  Au  Au1  1  0.0  0.0  0.59  1.0
  Au  Au2  1  0.86  0.92  0.0  1.0
  Au  Au3  1  0.92  0.86  0.18  1.0
  Au  Au4  1  0.65  0.86  0.0  1.0
  Au  Au5  1  0.14  0.92  0.18  1.0

data_Pb5Au3
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.36
_cell_length_b   8.78
_cell_length_c   8.78
_cell_angle_alpha   82.46
_cell_angle_beta   68.76
_cell_angle_gamma   68.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pb5Au3
_chemical_formula_sum   'Pb10 Au6'
_cell_volume   425.82
_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
  Pb  Pb0  1  0.11  0.0  0.79  1.0
  Pb  Pb1  1  0.2  0.59  0.21  1.0
  Pb  Pb2  1  0.28  0.18  0.44  1.0
  Pb  Pb3  1  0.33  0.0  0.56  1.0
  Pb  Pb4  1  0.41  0.59  0.79  1.0
  Pb  Pb5  1  0.49  0.18  0.21  1.0
  Pb  Pb6  1  0.69  0.0  0.64  1.0
  Pb  Pb7  1  0.71  0.18  0.44  1.0
  Pb  Pb8  1  0.9  0.0  0.56  1.0
  Pb  Pb9  1  0.92  0.18  0.36  1.0
  Au  Au10  1  0.23  0.77  0.0  1.0
  Au  Au11  1  0.41  0.59  0.0  1.0
  Au  Au12  1  0.68  0.18  0.06  1.0
  Au  Au13  1  0.74  0.18  0.21  1.0
  Au  Au14  1  0.86  0.0  0.79  1.0
  Au  Au15  1  0.92  0.0  0.94  1.0

Pb Pb Pb Pb Pb Pb Pb Pb Pb Pb Au Au Au Au Au Au