data_Al4Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.91
_cell_length_b   7.91
_cell_length_c   7.91
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al4Ag
_chemical_formula_sum   'Al16 Ag4'
_cell_volume   381.03
_cell_formula_units_Z   4
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  Al4  1  0.0  0.0  0.0  1.0
  Al  Al5  1  0.43  0.57  0.57  1.0
  Al  Al6  1  0.57  0.43  0.57  1.0
  Al  Al7  1  0.57  0.57  0.43  1.0
  Al  Al8  1  0.0  0.0  0.02  1.0
  Al  Al9  1  0.0  0.0  0.11  1.0
  Al  Al10  1  0.0  0.02  0.0  1.0
  Al  Al11  1  0.0  0.11  0.0  1.0
  Al  Al12  1  0.02  0.0  0.0  1.0
  Al  Al13  1  0.11  0.0  0.0  1.0
  Al  Al14  1  0.57  0.0  0.28  1.0
  Al  Al15  1  0.0  0.57  0.28  1.0
  Al  Al16  1  0.0  0.28  0.57  1.0
  Al  Al17  1  0.57  0.28  0.0  1.0
  Al  Al18  1  0.28  0.57  0.0  1.0
  Al  Al19  1  0.28  0.0  0.57  1.0
  Ag  Ag0  1  0.5  0.5  0.5  1.0
  Ag  Ag1  1  0.93  0.07  0.07  1.0
  Ag  Ag2  1  0.07  0.93  0.07  1.0
  Ag  Ag3  1  0.07  0.07  0.93  1.0

data_Al4Ag
_symmetry_space_group_name_H-M   R3m
_cell_length_a   12.92
_cell_length_b   12.92
_cell_length_c   7.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Al4Ag
_chemical_formula_sum   'Al48 Ag12'
_cell_volume   1143.08
_cell_formula_units_Z   12
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
  Al  Al0  18  0.0  0.28  0.28  1.0
  Al  Al1  9  0.02  0.01  0.01  1.0
  Al  Al2  9  0.04  0.09  0.52  1.0
  Al  Al3  9  0.07  0.04  0.04  1.0
  Al  Al4  3  0.0  0.0  0.0  1.0
  Ag  Ag5  9  0.04  0.09  0.02  1.0
  Ag  Ag6  3  0.0  0.0  0.5  1.0

Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Ag Ag Ag Ag
Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Al Ag Ag Ag Ag 0 4 o o o 0 6 o o o 0 8 o o o 0 17 - o o 0 18 o - o 0 19 o o - 1 16 o o o 1 11 o o o 1 12 o o o 2 16 o o o 2 10 o o o 2 15 o o o 3 16 o o o 3 13 o o o 3 14 o o o 4 5 o o o 4 17 - o o 4 18 o - o 5 12 o o o 5 15 o o o 5 17 - o o 5 18 o - o 6 7 o o o 6 17 - o o 6 19 o o - 7 11 o o o 7 14 o o o 7 17 - o o 7 19 o o - 8 9 o o o 8 18 o - o 8 19 o o - 9 10 o o o 9 13 o o o 9 18 o - o 9 19 o o - 10 18 o - o 10 14 o - o 10 13 o o o 10 15 o o o 10 12 + o o 11 13 - o o 11 17 - o o 11 12 o o o 11 14 o o o 11 15 o + o 12 17 - o o 12 15 o o o 12 14 o o + 13 15 o o - 13 19 o o - 13 14 o o o 14 19 o o - 15 18 o - o 