data_PbAu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68
_cell_length_b   5.68
_cell_length_c   7.11
_cell_angle_alpha   108.61
_cell_angle_beta   108.61
_cell_angle_gamma   33.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PbAu5
_chemical_formula_sum   'Pb1 Au5'
_cell_volume   120.21
_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
  Pb  Pb5  1  0.09  0.0  0.61  1.0
  Au  Au0  1  0.81  0.0  0.37  1.0
  Au  Au1  1  0.91  0.0  0.28  1.0
  Au  Au2  1  0.11  0.0  0.08  1.0
  Au  Au3  1  0.1  0.0  0.9  1.0
  Au  Au4  1  0.25  0.0  0.98  1.0

data_PbAu5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   5.68
_cell_length_c   7.11
_cell_angle_alpha   108.61
_cell_angle_beta   90.0
_cell_angle_gamma   106.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PbAu5
_chemical_formula_sum   'Pb1 Au5'
_cell_volume   120.21
_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
  Pb  Pb0  1  0.0  0.91  0.39  1.0
  Au  Au1  1  0.0  0.09  0.72  1.0
  Au  Au2  1  0.0  0.19  0.63  1.0
  Au  Au3  1  0.0  0.75  0.02  1.0
  Au  Au4  1  0.0  0.89  0.92  1.0
  Au  Au5  1  0.0  0.9  0.1  1.0

Pb Au Au Au Au Au