data_Al2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.06
_cell_length_b   8.06
_cell_length_c   8.06
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2Os
_chemical_formula_sum   'Al16 Os8'
_cell_volume   370.86
_cell_formula_units_Z   8
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  0.43  0.28  0.28  1.0
  Al  Al1  1  0.28  0.43  0.28  1.0
  Al  Al2  1  0.43  0.43  0.43  1.0
  Al  Al3  1  0.28  0.28  0.43  1.0
  Al  Al4  1  0.55  0.55  0.21  1.0
  Al  Al5  1  0.9  0.55  0.55  1.0
  Al  Al6  1  0.55  0.9  0.55  1.0
  Al  Al7  1  0.55  0.21  0.55  1.0
  Al  Al8  1  0.21  0.55  0.55  1.0
  Al  Al9  1  0.55  0.55  0.9  1.0
  Al  Al10  1  0.7  0.7  0.04  1.0
  Al  Al11  1  0.36  0.7  0.7  1.0
  Al  Al12  1  0.7  0.36  0.7  1.0
  Al  Al13  1  0.7  0.04  0.7  1.0
  Al  Al14  1  0.04  0.7  0.7  1.0
  Al  Al15  1  0.7  0.7  0.36  1.0
  Os  Os16  1  0.46  0.46  0.94  1.0
  Os  Os17  1  0.94  0.94  0.94  1.0
  Os  Os18  1  0.46  0.94  0.46  1.0
  Os  Os19  1  0.94  0.46  0.46  1.0
  Os  Os20  1  0.79  0.79  0.32  1.0
  Os  Os21  1  0.32  0.32  0.32  1.0
  Os  Os22  1  0.79  0.32  0.79  1.0
  Os  Os23  1  0.32  0.79  0.79  1.0

data_Al2Os
_symmetry_space_group_name_H-M   R3m
_cell_length_a   8.06
_cell_length_b   8.06
_cell_length_c   19.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Al2Os
_chemical_formula_sum   'Al48 Os24'
_cell_volume   1112.57
_cell_formula_units_Z   24
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  9  0.05  0.1  0.67  1.0
  Al  Al1  9  0.11  0.55  1.0  1.0
  Al  Al2  9  0.11  0.55  0.85  1.0
  Al  Al3  9  0.22  0.44  0.23  1.0
  Al  Al4  9  0.22  0.44  0.08  1.0
  Al  Al5  3  0.0  0.0  0.57  1.0
  Os  Os6  9  0.02  0.51  0.04  1.0
  Os  Os7  9  0.17  0.35  0.03  1.0
  Os  Os8  3  0.0  0.0  0.06  1.0
  Os  Os9  3  0.0  0.0  0.68  1.0

Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Os Os Os Os Os Os Os Os