data_Al7(GaS2)16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.24
_cell_length_b   10.24
_cell_length_c   10.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al7(GaS2)16
_chemical_formula_sum   'Al7 Ga16 S32'
_cell_volume   1073.6
_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  0.54  0.7  0.7  1.0
  Al  Al1  1  0.12  0.12  0.0  1.0
  Al  Al2  1  0.54  0.54  0.54  1.0
  Al  Al3  1  0.12  0.0  0.12  1.0
  Al  Al4  1  0.7  0.7  0.54  1.0
  Al  Al5  1  0.0  0.12  0.12  1.0
  Al  Al6  1  0.7  0.54  0.7  1.0
  Ga  Ga7  1  0.28  0.74  0.96  1.0
  Ga  Ga8  1  0.84  0.4  0.84  1.0
  Ga  Ga9  1  0.74  0.96  0.28  1.0
  Ga  Ga10  1  0.28  0.5  0.28  1.0
  Ga  Ga11  1  0.28  0.96  0.74  1.0
  Ga  Ga12  1  0.74  0.28  0.96  1.0
  Ga  Ga13  1  0.84  0.84  0.4  1.0
  Ga  Ga14  1  0.28  0.28  0.5  1.0
  Ga  Ga15  1  0.4  0.84  0.84  1.0
  Ga  Ga16  1  0.96  0.5  0.96  1.0
  Ga  Ga17  1  0.96  0.96  0.5  1.0
  Ga  Ga18  1  0.4  0.4  0.4  1.0
  Ga  Ga19  1  0.5  0.96  0.96  1.0
  Ga  Ga20  1  0.96  0.28  0.74  1.0
  Ga  Ga21  1  0.96  0.74  0.28  1.0
  Ga  Ga22  1  0.5  0.28  0.28  1.0
  S  S23  1  0.86  0.38  0.38  1.0
  S  S24  1  0.33  0.02  0.22  1.0
  S  S25  1  0.38  0.38  0.86  1.0
  S  S26  1  0.91  0.02  0.02  1.0
  S  S27  1  0.8  0.44  0.31  1.0
  S  S28  1  0.31  0.8  0.44  1.0
  S  S29  1  0.31  0.44  0.8  1.0
  S  S30  1  0.8  0.8  0.93  1.0
  S  S31  1  0.91  0.22  0.22  1.0
  S  S32  1  0.38  0.86  0.38  1.0
  S  S33  1  0.33  0.22  0.02  1.0
  S  S34  1  0.86  0.86  0.86  1.0
  S  S35  1  0.8  0.31  0.44  1.0
  S  S36  1  0.36  0.88  0.36  1.0
  S  S37  1  0.36  0.36  0.88  1.0
  S  S38  1  0.8  0.93  0.8  1.0
  S  S39  1  0.02  0.33  0.22  1.0
  S  S40  1  0.22  0.02  0.33  1.0
  S  S41  1  0.22  0.33  0.02  1.0
  S  S42  1  0.02  0.02  0.91  1.0
  S  S43  1  0.93  0.44  0.44  1.0
  S  S44  1  0.44  0.8  0.31  1.0
  S  S45  1  0.44  0.44  0.93  1.0
  S  S46  1  0.93  0.8  0.8  1.0
  S  S47  1  0.02  0.22  0.33  1.0
  S  S48  1  0.22  0.91  0.22  1.0
  S  S49  1  0.22  0.22  0.91  1.0
  S  S50  1  0.02  0.91  0.02  1.0
  S  S51  1  0.88  0.36  0.36  1.0
  S  S52  1  0.44  0.93  0.44  1.0
  S  S53  1  0.44  0.31  0.8  1.0
  S  S54  1  0.88  0.88  0.88  1.0

data_Al7(GaS2)16
_symmetry_space_group_name_H-M   R3m
_cell_length_a   14.48
_cell_length_b   14.48
_cell_length_c   17.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Al7(GaS2)16
_chemical_formula_sum   'Al21 Ga48 S96'
_cell_volume   3220.8
_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+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  0.04  0.08  0.08  1.0
  Al  Al1  9  0.05  0.11  0.65  1.0
  Al  Al2  3  0.0  0.0  0.54  1.0
  Ga  Ga3  18  0.08  0.38  0.66  1.0
  Ga  Ga4  9  0.03  0.51  0.47  1.0
  Ga  Ga5  9  0.04  0.52  0.36  1.0
  Ga  Ga6  9  0.15  0.07  0.35  1.0
  Ga  Ga7  3  0.0  0.0  0.4  1.0
  S  S8  18  0.03  0.17  0.19  1.0
  S  S9  18  0.13  0.39  0.18  1.0
  S  S10  9  0.01  0.51  0.87  1.0
  S  S11  9  0.04  0.07  0.98  1.0
  S  S12  9  0.09  0.05  0.84  1.0
  S  S13  9  0.1  0.21  0.12  1.0
  S  S14  9  0.17  0.34  0.27  1.0
  S  S15  9  0.17  0.35  0.21  1.0
  S  S16  3  0.0  0.0  0.86  1.0
  S  S17  3  0.0  0.0  0.88  1.0

Al Al Al Al Al Al Al Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S S