data_Ba(AlB)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   8.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba(AlB)5
_chemical_formula_sum   'Ba1 Al5 B5'
_cell_volume   180.96
_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
  Ba  Ba10  1  1.0  0.85  0.0  1.0
  Al  Al0  1  0.0  0.0  0.03  1.0
  Al  Al1  1  0.0  0.0  0.52  1.0
  Al  Al2  1  0.25  0.72  0.27  1.0
  Al  Al3  1  0.7  0.72  0.27  1.0
  Al  Al4  1  0.47  0.84  0.27  1.0
  B  B5  1  1.0  0.85  0.48  1.0
  B  B6  1  1.0  0.85  0.07  1.0
  B  B7  1  0.47  0.43  0.47  1.0
  B  B8  1  0.47  0.43  0.08  1.0
  B  B9  1  0.0  0.0  0.0  1.0

data_Ba(AlB)5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   8.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba(AlB)5
_chemical_formula_sum   'Ba1 Al5 B5'
_cell_volume   180.96
_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
  Ba  Ba0  1  1.0  0.85  0.0  1.0
  Al  Al1  1  0.0  0.0  0.03  1.0
  Al  Al2  1  0.0  0.0  0.52  1.0
  Al  Al3  1  0.25  0.72  0.27  1.0
  Al  Al4  1  0.47  0.84  0.27  1.0
  Al  Al5  1  0.7  0.72  0.27  1.0
  B  B6  1  0.0  0.0  0.0  1.0
  B  B7  1  0.47  0.43  0.08  1.0
  B  B8  1  0.47  0.43  0.47  1.0
  B  B9  1  1.0  0.85  0.07  1.0
  B  B10  1  1.0  0.85  0.48  1.0

Ba Al Al Al Al Al B B B B B