data_Al2BOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   4.54
_cell_angle_alpha   132.64
_cell_angle_beta   132.64
_cell_angle_gamma   69.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2BOs
_chemical_formula_sum   'Al2 B1 Os1'
_cell_volume   49.58
_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  0.0  0.73  1.0
  Al  Al1  1  0.0  0.82  0.87  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.82  0.0  0.87  1.0

data_Al2BOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   3.64
_cell_length_c   4.54
_cell_angle_alpha   113.68
_cell_angle_beta   113.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2BOs
_chemical_formula_sum   'Al2 B1 Os1'
_cell_volume   49.58
_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  0.27  0.0  0.27  1.0
  Al  Al1  1  0.95  0.82  0.95  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.13  0.0  0.95  1.0

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