data_Si4Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.68
_cell_length_b   7.68
_cell_length_c   7.68
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si4Ag
_chemical_formula_sum   'Si16 Ag4'
_cell_volume   348.53
_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  Si4  1  0.12  0.12  0.12  1.0
  Si  Si5  1  0.69  0.31  0.31  1.0
  Si  Si6  1  0.31  0.69  0.31  1.0
  Si  Si7  1  0.31  0.31  0.69  1.0
  Si  Si8  1  0.0  0.0  0.95  1.0
  Si  Si9  1  0.0  0.0  0.92  1.0
  Si  Si10  1  0.0  0.95  0.0  1.0
  Si  Si11  1  0.0  0.92  0.0  1.0
  Si  Si12  1  0.95  0.0  0.0  1.0
  Si  Si13  1  0.92  0.0  0.0  1.0
  Si  Si14  1  0.43  0.0  0.98  1.0
  Si  Si15  1  0.0  0.43  0.45  1.0
  Si  Si16  1  0.0  0.98  0.43  1.0
  Si  Si17  1  0.43  0.45  0.0  1.0
  Si  Si18  1  0.98  0.43  0.0  1.0
  Si  Si19  1  0.45  0.0  0.43  1.0
  Ag  Ag0  1  0.69  0.69  0.69  1.0
  Ag  Ag1  1  0.25  0.75  0.75  1.0
  Ag  Ag2  1  0.75  0.25  0.75  1.0
  Ag  Ag3  1  0.75  0.75  0.25  1.0

data_Si4Ag
_symmetry_space_group_name_H-M   R3
_cell_length_a   12.54
_cell_length_b   12.54
_cell_length_c   7.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   Si4Ag
_chemical_formula_sum   'Si48 Ag12'
_cell_volume   1045.59
_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  'x+2/3, y+1/3, z+1/3'
  5  '-y+2/3, x-y+1/3, z+1/3'
  6  '-x+y+2/3, -x+1/3, z+1/3'
  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'
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  0.02  0.03  0.98  1.0
  Si  Si1  9  0.03  0.06  0.97  1.0
  Si  Si2  9  0.04  0.51  0.96  1.0
  Si  Si3  9  0.18  0.8  0.8  1.0
  Si  Si4  9  0.21  0.42  0.1  1.0
  Si  Si5  3  0.0  0.0  0.12  1.0
  Ag  Ag6  9  0.01  0.5  0.25  1.0
  Ag  Ag7  3  0.0  0.0  0.69  1.0

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