data_In17B12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.33
_cell_length_b   9.33
_cell_length_c   9.33
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In17B12
_chemical_formula_sum   'In17 B12'
_cell_volume   625.54
_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  In12  1  0.85  0.84  0.15  1.0
  In  In13  1  0.15  0.84  0.85  1.0
  In  In14  1  0.24  0.55  0.24  1.0
  In  In15  1  0.15  0.94  0.15  1.0
  In  In16  1  0.85  0.15  0.84  1.0
  In  In17  1  0.15  0.85  0.84  1.0
  In  In18  1  0.15  0.15  0.94  1.0
  In  In19  1  0.24  0.24  0.55  1.0
  In  In20  1  0.94  0.15  0.15  1.0
  In  In21  1  0.55  0.24  0.24  1.0
  In  In22  1  0.84  0.85  0.15  1.0
  In  In23  1  0.84  0.15  0.85  1.0
  In  In24  1  0.22  0.78  0.78  1.0
  In  In25  1  0.78  0.78  0.22  1.0
  In  In26  1  0.61  0.61  0.61  1.0
  In  In27  1  0.78  0.22  0.78  1.0
  In  In28  1  0.0  0.0  0.0  1.0
  B  B0  1  0.8  0.7  0.2  1.0
  B  B1  1  0.2  0.7  0.8  1.0
  B  B2  1  0.8  0.07  0.8  1.0
  B  B3  1  0.59  0.68  0.59  1.0
  B  B4  1  0.8  0.2  0.7  1.0
  B  B5  1  0.2  0.8  0.7  1.0
  B  B6  1  0.59  0.59  0.68  1.0
  B  B7  1  0.8  0.8  0.07  1.0
  B  B8  1  0.68  0.59  0.59  1.0
  B  B9  1  0.07  0.8  0.8  1.0
  B  B10  1  0.7  0.8  0.2  1.0
  B  B11  1  0.7  0.2  0.8  1.0

data_In17B12
_symmetry_space_group_name_H-M   R3m
_cell_length_a   15.24
_cell_length_b   15.24
_cell_length_c   9.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   In17B12
_chemical_formula_sum   'In51 B36'
_cell_volume   1876.63
_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  0.2  0.09  0.95  1.0
  In  In1  9  0.07  0.14  0.08  1.0
  In  In2  9  0.19  0.37  0.59  1.0
  In  In3  9  0.21  0.1  0.34  1.0
  In  In4  3  0.0  0.0  0.0  1.0
  In  In5  3  0.0  0.0  0.61  1.0
  B  B6  18  0.14  0.36  0.57  1.0
  B  B7  9  0.06  0.03  0.62  1.0
  B  B8  9  0.18  0.09  0.89  1.0

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