data_In12Ag17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.27
_cell_length_b   9.27
_cell_length_c   9.27
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In12Ag17
_chemical_formula_sum   'In12 Ag17'
_cell_volume   613.64
_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
  In  In17  1  0.04  0.53  0.04  1.0
  In  In18  1  0.31  0.18  0.31  1.0
  In  In19  1  0.96  0.18  0.04  1.0
  In  In20  1  0.04  0.18  0.96  1.0
  In  In21  1  0.18  0.96  0.04  1.0
  In  In22  1  0.18  0.04  0.96  1.0
  In  In23  1  0.18  0.31  0.31  1.0
  In  In24  1  0.53  0.04  0.04  1.0
  In  In25  1  0.04  0.96  0.18  1.0
  In  In26  1  0.96  0.04  0.18  1.0
  In  In27  1  0.04  0.04  0.53  1.0
  In  In28  1  0.31  0.31  0.18  1.0
  Ag  Ag0  1  0.88  0.39  0.88  1.0
  Ag  Ag1  1  0.47  0.75  0.47  1.0
  Ag  Ag2  1  0.47  0.96  0.53  1.0
  Ag  Ag3  1  0.53  0.96  0.47  1.0
  Ag  Ag4  1  0.96  0.47  0.53  1.0
  Ag  Ag5  1  0.96  0.53  0.47  1.0
  Ag  Ag6  1  0.75  0.47  0.47  1.0
  Ag  Ag7  1  0.39  0.88  0.88  1.0
  Ag  Ag8  1  0.53  0.47  0.96  1.0
  Ag  Ag9  1  0.47  0.53  0.96  1.0
  Ag  Ag10  1  0.88  0.88  0.39  1.0
  Ag  Ag11  1  0.47  0.47  0.75  1.0
  Ag  Ag12  1  0.61  0.39  0.61  1.0
  Ag  Ag13  1  0.74  0.74  0.74  1.0
  Ag  Ag14  1  0.39  0.61  0.61  1.0
  Ag  Ag15  1  0.61  0.61  0.39  1.0
  Ag  Ag16  1  0.0  0.0  0.0  1.0

data_In12Ag17
_symmetry_space_group_name_H-M   R3m
_cell_length_a   15.14
_cell_length_b   15.14
_cell_length_c   9.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   In12Ag17
_chemical_formula_sum   'In36 Ag51'
_cell_volume   1840.91
_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
  In  In0  18  0.12  0.02  0.06  1.0
  In  In1  9  0.04  0.96  0.27  1.0
  In  In2  9  0.17  0.34  0.87  1.0
  Ag  Ag3  18  0.16  0.36  0.32  1.0
  Ag  Ag4  9  0.01  0.51  0.38  1.0
  Ag  Ag5  9  0.07  0.15  0.54  1.0
  Ag  Ag6  9  0.18  0.09  0.57  1.0
  Ag  Ag7  3  0.0  0.0  -0.0  1.0
  Ag  Ag8  3  0.0  0.0  0.74  1.0

In In In In In In In In In In In In Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag
In In In In In In In In In In In In Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag Ag 0 12 - o - 1 4 o - o 1 8 o - o 1 11 o o o 1 6 o o o 1 24 o o o 2 3 + o - 2 6 + o o 2 28 + o o 3 11 o o + 3 28 o o + 4 5 o + - 4 28 o + o 5 11 o o + 5 28 o o + 6 9 - o o 6 11 o o o 6 26 o o o 7 19 o - - 8 9 - + o 8 28 o + o 9 28 + o o 10 22 - - o 11 27 o o o 13 26 o o o 13 15 o o o 13 14 o o o 13 27 o o o 13 25 o o o 14 15 o o o 16 17 o o o 16 18 o o o 17 18 o o o 18 24 o o o 18 27 o o o 18 25 o o o 20 21 o o o 20 23 o o o 21 23 o o o 23 26 o o o 23 24 o o o 23 25 o o o 24 25 o o o 25 27 o o o 25 26 o o o 25 28 + + + 