data_B5Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.08
_cell_length_b   5.81
_cell_length_c   5.81
_cell_angle_alpha   35.86
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B5Au
_chemical_formula_sum   'B5 Au1'
_cell_volume   60.96
_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
  B  B1  1  0.0  0.0  0.26  1.0
  B  B2  1  0.54  0.0  0.46  1.0
  B  B3  1  0.0  0.0  0.95  1.0
  B  B4  1  0.54  0.0  0.25  1.0
  B  B5  1  0.0  0.0  0.59  1.0
  Au  Au0  1  0.54  0.0  0.05  1.0

data_B5Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   3.58
_cell_length_c   5.81
_cell_angle_alpha   107.93
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   B5Au
_chemical_formula_sum   'B5 Au1'
_cell_volume   60.96
_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
  B  B0  1  0.0  0.26  0.26  1.0
  B  B1  1  0.0  0.59  0.59  1.0
  B  B2  1  0.0  0.95  0.95  1.0
  B  B3  1  0.46  0.25  0.25  1.0
  B  B4  1  0.46  0.46  0.46  1.0
  Au  Au5  1  0.46  0.05  0.05  1.0

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