data_As17Os12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.45
_cell_length_b   8.45
_cell_length_c   8.45
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As17Os12
_chemical_formula_sum   'As17 Os12'
_cell_volume   464.37
_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
  As  As0  1  0.64  0.54  0.36  1.0
  As  As1  1  0.36  0.54  0.64  1.0
  As  As2  1  0.36  0.21  0.36  1.0
  As  As3  1  0.52  0.34  0.52  1.0
  As  As4  1  0.54  0.64  0.36  1.0
  As  As5  1  0.54  0.36  0.64  1.0
  As  As6  1  0.34  0.52  0.52  1.0
  As  As7  1  0.21  0.36  0.36  1.0
  As  As8  1  0.52  0.52  0.34  1.0
  As  As9  1  0.36  0.36  0.21  1.0
  As  As10  1  0.64  0.36  0.54  1.0
  As  As11  1  0.36  0.64  0.54  1.0
  As  As12  1  0.53  0.53  0.47  1.0
  As  As13  1  0.47  0.53  0.53  1.0
  As  As14  1  0.35  0.35  0.35  1.0
  As  As15  1  0.53  0.47  0.53  1.0
  As  As16  1  0.0  0.0  0.0  1.0
  Os  Os17  1  0.01  0.03  0.99  1.0
  Os  Os18  1  0.99  0.03  0.01  1.0
  Os  Os19  1  0.87  0.85  0.87  1.0
  Os  Os20  1  0.01  0.73  0.01  1.0
  Os  Os21  1  0.03  0.01  0.99  1.0
  Os  Os22  1  0.03  0.99  0.01  1.0
  Os  Os23  1  0.73  0.01  0.01  1.0
  Os  Os24  1  0.85  0.87  0.87  1.0
  Os  Os25  1  0.01  0.01  0.73  1.0
  Os  Os26  1  0.87  0.87  0.85  1.0
  Os  Os27  1  0.01  0.99  0.03  1.0
  Os  Os28  1  0.99  0.01  0.03  1.0

data_As17Os12
_symmetry_space_group_name_H-M   R3m
_cell_length_a   13.8
_cell_length_b   13.8
_cell_length_c   8.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   As17Os12
_chemical_formula_sum   'As51 Os36'
_cell_volume   1393.12
_cell_formula_units_Z   3
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+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
  10  '-y+2/3, -x+1/3, z+1/3'
  11  '-x+y+2/3, y+1/3, z+1/3'
  12  'x+2/3, x-y+1/3, z+1/3'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-y+1/3, x-y+2/3, z+2/3'
  15  '-x+y+1/3, -x+2/3, z+2/3'
  16  '-y+1/3, -x+2/3, z+2/3'
  17  '-x+y+1/3, y+2/3, z+2/3'
  18  'x+1/3, x-y+2/3, z+2/3'
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
  As  As0  18  0.03  0.16  0.51  1.0
  As  As1  9  0.02  0.04  0.51  1.0
  As  As2  9  0.05  0.09  0.31  1.0
  As  As3  9  0.06  0.12  0.46  1.0
  As  As4  3  0.0  0.0  -0.0  1.0
  As  As5  3  0.0  0.0  0.35  1.0
  Os  Os6  18  0.02  0.0  0.01  1.0
  Os  Os7  9  0.01  0.02  0.86  1.0
  Os  Os8  9  0.09  0.19  0.91  1.0

As As As As As As As As As As As As As As As As As Os Os Os Os Os Os Os Os Os Os Os Os