data_Hf17Ag12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.13
_cell_length_b   9.13
_cell_length_c   9.13
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf17Ag12
_chemical_formula_sum   'Hf17 Ag12'
_cell_volume   585.76
_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
  Hf  Hf12  1  0.51  0.72  0.51  1.0
  Hf  Hf13  1  0.76  0.45  0.76  1.0
  Hf  Hf14  1  0.51  0.82  0.49  1.0
  Hf  Hf15  1  0.49  0.82  0.51  1.0
  Hf  Hf16  1  0.51  0.49  0.82  1.0
  Hf  Hf17  1  0.49  0.51  0.82  1.0
  Hf  Hf18  1  0.76  0.76  0.45  1.0
  Hf  Hf19  1  0.51  0.51  0.72  1.0
  Hf  Hf20  1  0.82  0.49  0.51  1.0
  Hf  Hf21  1  0.82  0.51  0.49  1.0
  Hf  Hf22  1  0.72  0.51  0.51  1.0
  Hf  Hf23  1  0.45  0.76  0.76  1.0
  Hf  Hf24  1  0.76  0.24  0.76  1.0
  Hf  Hf25  1  0.51  0.51  0.51  1.0
  Hf  Hf26  1  0.76  0.76  0.24  1.0
  Hf  Hf27  1  0.24  0.76  0.76  1.0
  Hf  Hf28  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.3  0.68  0.3  1.0
  Ag  Ag1  1  0.97  0.95  0.97  1.0
  Ag  Ag2  1  0.03  0.59  0.97  1.0
  Ag  Ag3  1  0.97  0.59  0.03  1.0
  Ag  Ag4  1  0.03  0.97  0.59  1.0
  Ag  Ag5  1  0.97  0.03  0.59  1.0
  Ag  Ag6  1  0.97  0.97  0.95  1.0
  Ag  Ag7  1  0.3  0.3  0.68  1.0
  Ag  Ag8  1  0.59  0.97  0.03  1.0
  Ag  Ag9  1  0.59  0.03  0.97  1.0
  Ag  Ag10  1  0.68  0.3  0.3  1.0
  Ag  Ag11  1  0.95  0.97  0.97  1.0

data_Hf17Ag12
_symmetry_space_group_name_H-M   R3m
_cell_length_a   14.91
_cell_length_b   14.91
_cell_length_c   9.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Hf17Ag12
_chemical_formula_sum   'Hf51 Ag36'
_cell_volume   1757.28
_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
  Hf  Hf0  18  0.21  0.1  0.61  1.0
  Hf  Hf1  9  0.1  0.21  0.66  1.0
  Hf  Hf2  9  0.14  0.07  0.58  1.0
  Hf  Hf3  9  0.17  0.35  0.59  1.0
  Hf  Hf4  3  0.0  0.0  -0.0  1.0
  Hf  Hf5  3  0.0  0.0  0.51  1.0
  Ag  Ag6  18  0.06  0.5  0.53  1.0
  Ag  Ag7  9  0.01  0.01  0.97  1.0
  Ag  Ag8  9  0.2  0.41  0.09  1.0

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