data_SiAg4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.87
_cell_length_b   7.87
_cell_length_c   7.87
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiAg4
_chemical_formula_sum   'Si4 Ag16'
_cell_volume   375.91
_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
  Si  Si16  1  0.1  0.9  0.9  1.0
  Si  Si17  1  0.9  0.1  0.9  1.0
  Si  Si18  1  0.9  0.9  0.1  1.0
  Si  Si19  1  0.65  0.65  0.65  1.0
  Ag  Ag0  1  0.55  0.45  0.45  1.0
  Ag  Ag1  1  0.45  0.55  0.45  1.0
  Ag  Ag2  1  0.45  0.45  0.55  1.0
  Ag  Ag3  1  0.09  0.09  0.09  1.0
  Ag  Ag4  1  0.01  0.0  0.0  1.0
  Ag  Ag5  1  0.08  0.0  0.0  1.0
  Ag  Ag6  1  0.0  0.08  0.0  1.0
  Ag  Ag7  1  0.0  0.01  0.0  1.0
  Ag  Ag8  1  0.0  0.0  0.08  1.0
  Ag  Ag9  1  0.0  0.0  0.01  1.0
  Ag  Ag10  1  0.27  0.55  0.0  1.0
  Ag  Ag11  1  0.27  0.0  0.55  1.0
  Ag  Ag12  1  0.55  0.27  0.0  1.0
  Ag  Ag13  1  0.0  0.27  0.55  1.0
  Ag  Ag14  1  0.0  0.55  0.27  1.0
  Ag  Ag15  1  0.55  0.0  0.27  1.0

data_SiAg4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   12.86
_cell_length_b   12.86
_cell_length_c   7.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SiAg4
_chemical_formula_sum   'Si12 Ag48'
_cell_volume   1127.72
_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
  Si  Si0  9  0.14  0.07  0.97  1.0
  Si  Si1  3  0.0  0.0  0.65  1.0
  Ag  Ag2  18  0.0  0.27  0.27  1.0
  Ag  Ag3  9  0.01  0.0  0.0  1.0
  Ag  Ag4  9  0.05  0.03  0.03  1.0
  Ag  Ag5  9  0.06  0.03  0.48  1.0
  Ag  Ag6  3  0.0  0.0  0.09  1.0

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