data_Al2BSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   5.01
_cell_angle_alpha   140.07
_cell_angle_beta   113.04
_cell_angle_gamma   80.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2BSb
_chemical_formula_sum   'Al2 B1 Sb1'
_cell_volume   71.9
_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
  Al  Al0  1  0.0  0.76  0.46  1.0
  Al  Al1  1  0.71  0.0  0.35  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.0  0.0  0.81  1.0

data_Al2BSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   5.01
_cell_length_c   5.01
_cell_angle_alpha   66.96
_cell_angle_beta   70.03
_cell_angle_gamma   70.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2BSb
_chemical_formula_sum   'Al2 B1 Sb1'
_cell_volume   71.9
_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
  Al  Al0  1  0.0  0.29  0.35  1.0
  Al  Al1  1  0.76  0.0  0.7  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.0  0.0  0.81  1.0

Al Al B Sb
Al Al B Sb 0 3 o + o 0 1 - + o 1 3 + o o 2 3 o o - 